ethyl 4-[[4-methyl-2-[(4-oxidanylidene-4-phenylmethoxy-2-pyrrol-1-yl-butanoyl)amino]pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[4-methyl-2-[(4-oxidanylidene-4-phenylmethoxy-2-pyrrol-1-yl-butanoyl)amino]pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(4-benzyloxy-4-oxo-2-pyrrol-1-yl-butanoyl)amino]-4-methyl-pentanoyl]amino]benzoate CAS Name: 4-[[2-[[1,4-dioxo-4-phenylmethoxy-2-(1-pyrrolyl)butyl]amino]-4-methyl-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-methyl-2-[(4-oxo-4-phenylmethoxy-2-pyrrol-1-ylbutanoyl)amino]pentanoyl]amino]benzoate Traditional Name: 4-[[2-[(4-benzoxy-4-keto-2-pyrrol-1-yl-butanoyl)amino]-4-methyl-pentanoyl]amino]benzoic acid ethyl ester Formula: C30H35N3O6 MolecularWeight: 533.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N3C=CC=C3

InChI

InChI=1S/C30H35N3O6/c1-4-38-30(37)23-12-14-24(15-13-23)31-28(35)25(18-21(2)3)32-29(36)26(33-16-8-9-17-33)19-27(34)39-20-22-10-6-5-7-11-22/h5-17,21,25-26H,4,18-20H2,1-3H3,(H,31,35)(H,32,36)