heptyl 4-[[12-[(4-heptoxycarbonylphenyl)amino]-12-oxidanylidene-dodecanoyl]amino]benzoate

Systemtic Name: heptyl 4-[[12-[(4-heptoxycarbonylphenyl)amino]-12-oxidanylidene-dodecanoyl]amino]benzoate Openeye Name: heptyl 4-[[12-(4-heptoxycarbonylanilino)-12-oxo-dodecanoyl]amino]benzoate CAS Name: 4-[[12-[4-[heptoxy(oxo)methyl]anilino]-1,12-dioxododecyl]amino]benzoic acid heptyl ester IUPAC Name: heptyl 4-[[12-(4-heptoxycarbonylanilino)-12-oxododecanoyl]amino]benzoate Traditional Name: 4-[[12-(4-heptoxycarbonylanilino)-12-keto-dodecanoyl]amino]benzoic acid heptyl ester Formula: C40H60N2O6 MolecularWeight: 664.9142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCCCCC(=O)NC2=CC=C(C=C2)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCCCCC(=O)NC2=CC=C(C=C2)C(=O)OCCCCCCC

InChI

InChI=1S/C40H60N2O6/c1-3-5-7-15-19-31-47-39(45)33-23-27-35(28-24-33)41-37(43)21-17-13-11-9-10-12-14-18-22-38(44)42-36-29-25-34(26-30-36)40(46)48-32-20-16-8-6-4-2/h23-30H,3-22,31-32H2,1-2H3,(H,41,43)(H,42,44)