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

Systemtic Name: 2-[3-[[1-(2-ethoxycarbonyl-4-naphthalen-1-yl-butyl)cyclopentyl]carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-[2-ethoxycarbonyl-4-(1-naphthyl)butyl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[[1-[2-ethoxycarbonyl-4-(1-naphthalenyl)butyl]cyclopentyl]-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[[1-(2-ethoxycarbonyl-4-naphthalen-1-ylbutyl)cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[[1-[2-carbethoxy-4-(1-naphthyl)butyl]cyclopentanecarbonyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C35H40N2O6 MolecularWeight: 584.7019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC2=CC=CC=C21)CC3(CCCC3)C(=O)NC4CCC5=CC=CC=C5N(C4=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC2=CC=CC=C21)CC3(CCCC3)C(=O)NC4CCC5=CC=CC=C5N(C4=O)CC(=O)O

InChI

InChI=1S/C35H40N2O6/c1-2-43-33(41)27(17-16-25-13-9-12-24-10-3-5-14-28(24)25)22-35(20-7-8-21-35)34(42)36-29-19-18-26-11-4-6-15-30(26)37(32(29)40)23-31(38)39/h3-6,9-15,27,29H,2,7-8,16-23H2,1H3,(H,36,42)(H,38,39)