2-[3-[[1-(2-ethoxycarbonyl-4-phenyl-butyl)cyclopentyl]carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[1-(2-ethoxycarbonyl-4-phenyl-butyl)cyclopentyl]carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-(2-ethoxycarbonyl-4-phenyl-butyl)cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[[1-(2-ethoxycarbonyl-4-phenylbutyl)cyclopentyl]-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[[1-(2-ethoxycarbonyl-4-phenylbutyl)cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[[1-(2-carbethoxy-4-phenyl-butyl)cyclopentanecarbonyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)CC2(CCCC2)C(=O)NC3CCC4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)CC2(CCCC2)C(=O)NC3CCC4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)