octyl 2-[[4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: octyl 2-[[4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoate Openeye Name: octyl 3-hydroxy-2-[[4-(4-methoxyanilino)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: 3-hydroxy-2-[[4-(4-methoxyanilino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid octyl ester IUPAC Name: octyl 3-hydroxy-2-[[4-(4-methoxyanilino)-4-oxobutanoyl]amino]-3-phenylpropanoate Traditional Name: 3-hydroxy-2-[[4-keto-4-(p-anisidino)butanoyl]amino]-3-phenyl-propionic acid octyl ester Formula: C28H38N2O6 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C28H38N2O6/c1-3-4-5-6-7-11-20-36-28(34)26(27(33)21-12-9-8-10-13-21)30-25(32)19-18-24(31)29-22-14-16-23(35-2)17-15-22/h8-10,12-17,26-27,33H,3-7,11,18-20H2,1-2H3,(H,29,31)(H,30,32)