1-[3-[bis[5-(diethoxyphosphorylcarbamoylamino)-3-methyl-2-pentoxy-phenyl]methyl]-5-methyl-4-pentoxy-phenyl]-3-diethoxyphosphoryl-urea

Systemtic Name: 1-[3-[bis[5-(diethoxyphosphorylcarbamoylamino)-3-methyl-2-pentoxy-phenyl]methyl]-5-methyl-4-pentoxy-phenyl]-3-diethoxyphosphoryl-urea Openeye Name: 1-[3-[bis[5-(diethoxyphosphorylcarbamoylamino)-3-methyl-2-pentoxy-phenyl]methyl]-5-methyl-4-pentoxy-phenyl]-3-diethoxyphosphoryl-urea CAS Name: 1-[3-[bis[5-[[(diethoxyphosphorylamino)-oxomethyl]amino]-3-methyl-2-pentoxyphenyl]methyl]-5-methyl-4-pentoxyphenyl]-3-diethoxyphosphorylurea IUPAC Name: 1-[3-[bis[5-(diethoxyphosphorylcarbamoylamino)-3-methyl-2-pentoxyphenyl]methyl]-5-methyl-4-pentoxyphenyl]-3-diethoxyphosphorylurea Traditional Name: 1-[4-amoxy-3-[bis[2-amoxy-5-(diethoxyphosphorylcarbamoylamino)-3-methyl-phenyl]methyl]-5-methyl-phenyl]-3-diethoxyphosphoryl-urea Formula: C52H85N6O15P3 MolecularWeight: 1127.183783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1C)NC(=O)NP(=O)(OCC)OCC)C(C2=C(C(=CC(=C2)NC(=O)NP(=O)(OCC)OCC)C)OCCCCC)C3=C(C(=CC(=C3)NC(=O)NP(=O)(OCC)OCC)C)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1C)NC(=O)NP(=O)(OCC)OCC)C(C2=C(C(=CC(=C2)NC(=O)NP(=O)(OCC)OCC)C)OCCCCC)C3=C(C(=CC(=C3)NC(=O)NP(=O)(OCC)OCC)C)OCCCCC

InChI

InChI=1S/C52H85N6O15P3/c1-13-22-25-28-65-47-37(10)31-40(53-50(59)56-74(62,68-16-4)69-17-5)34-43(47)46(44-35-41(32-38(11)48(44)66-29-26-23-14-2)54-51(60)57-75(63,70-18-6)71-19-7)45-36-42(33-39(12)49(45)67-30-27-24-15-3)55-52(61)58-76(64,72-20-8)73-21-9/h31-36,46H,13-30H2,1-12H3,(H2,53,56,59,62)(H2,54,57,60,63)(H2,55,58,61,64)