2,4-bis[(4-acetyloxy-5-methyl-6-phenyl-hexyl)-(phenylmethyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[(4-acetyloxy-5-methyl-6-phenyl-hexyl)-(phenylmethyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[(4-acetoxy-5-methyl-6-phenyl-hexyl)-benzyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[(4-acetyloxy-5-methyl-6-phenylhexyl)-(phenylmethyl)amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[(4-acetyloxy-5-methyl-6-phenylhexyl)-benzylcarbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[(4-acetoxy-5-methyl-6-phenyl-hexyl)-benzyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C52H62N2O10 MolecularWeight: 875.05608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CCCN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCCC(C(C)CC4=CC=CC=C4)OC(=O)C)CC5=CC=CC=C5)C(=O)O)OC(=O)C

Isomeric SMILES

CC(CC1=CC=CC=C1)C(CCCN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCCC(C(C)CC4=CC=CC=C4)OC(=O)C)CC5=CC=CC=C5)C(=O)O)OC(=O)C

InChI

InChI=1S/C52H62N2O10/c1-35(31-39-19-9-5-10-20-39)43(63-37(3)55)27-17-29-53(33-41-23-13-7-14-24-41)49(57)45-47(51(59)60)46(48(45)52(61)62)50(58)54(34-42-25-15-8-16-26-42)30-18-28-44(64-38(4)56)36(2)32-40-21-11-6-12-22-40/h5-16,19-26,35-36,43-48H,17-18,27-34H2,1-4H3,(H,59,60)(H,61,62)