1-[2-[(2-azanylcyclohexyl)methyl]prop-2-enyl]-3-(3,3-diphenylpropyl)-1,3-bis(3-methoxyphenyl)urea

Systemtic Name: 1-[2-[(2-azanylcyclohexyl)methyl]prop-2-enyl]-3-(3,3-diphenylpropyl)-1,3-bis(3-methoxyphenyl)urea Openeye Name: 1-[2-[(2-aminocyclohexyl)methyl]allyl]-3-(3,3-diphenylpropyl)-1,3-bis(3-methoxyphenyl)urea CAS Name: 1-[2-[(2-aminocyclohexyl)methyl]prop-2-enyl]-3-(3,3-diphenylpropyl)-1,3-bis(3-methoxyphenyl)urea IUPAC Name: 1-[2-[(2-aminocyclohexyl)methyl]prop-2-enyl]-3-(3,3-diphenylpropyl)-1,3-bis(3-methoxyphenyl)urea Traditional Name: 1-[2-[(2-aminocyclohexyl)methyl]allyl]-3-(3,3-diphenylpropyl)-1,3-bis(3-methoxyphenyl)urea Formula: C40H47N3O3 MolecularWeight: 617.81948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N(CC(=C)CC4CCCCC4N)C5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=CC(=C1)N(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N(CC(=C)CC4CCCCC4N)C5=CC(=CC=C5)OC

InChI

InChI=1S/C40H47N3O3/c1-30(26-33-18-10-11-23-39(33)41)29-43(35-20-13-22-37(28-35)46-3)40(44)42(34-19-12-21-36(27-34)45-2)25-24-38(31-14-6-4-7-15-31)32-16-8-5-9-17-32/h4-9,12-17,19-22,27-28,33,38-39H,1,10-11,18,23-26,29,41H2,2-3H3