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

Systemtic Name: octyl 2-[[4-[(4-bromophenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoate Openeye Name: octyl 2-[[4-(4-bromoanilino)-4-oxo-butanoyl]amino]-3-hydroxy-3-phenyl-propanoate CAS Name: 2-[[4-(4-bromoanilino)-1,4-dioxobutyl]amino]-3-hydroxy-3-phenylpropanoic acid octyl ester IUPAC Name: octyl 2-[[4-(4-bromoanilino)-4-oxobutanoyl]amino]-3-hydroxy-3-phenylpropanoate Traditional Name: 2-[[4-(4-bromoanilino)-4-keto-butanoyl]amino]-3-hydroxy-3-phenyl-propionic acid octyl ester Formula: C27H35BrN2O5 MolecularWeight: 547.4812

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H35BrN2O5/c1-2-3-4-5-6-10-19-35-27(34)25(26(33)20-11-8-7-9-12-20)30-24(32)18-17-23(31)29-22-15-13-21(28)14-16-22/h7-9,11-16,25-26,33H,2-6,10,17-19H2,1H3,(H,29,31)(H,30,32)