2-[6-acetyloxy-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-3,4,5,6-tetrahydro-1-benzazocin-1-yl]ethanoic acid

Systemtic Name: 2-[6-acetyloxy-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-3,4,5,6-tetrahydro-1-benzazocin-1-yl]ethanoic acid Openeye Name: 2-[6-acetoxy-3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid CAS Name: 2-[6-acetyloxy-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid IUPAC Name: 2-[6-acetyloxy-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid Traditional Name: 2-[6-acetoxy-3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(C3=CC=CC=C3N(C2=O)CC(=O)O)OC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC(C3=CC=CC=C3N(C2=O)CC(=O)O)OC(=O)C

InChI

InChI=1S/C27H32N2O7/c1-3-35-27(34)22(14-13-19-9-5-4-6-10-19)28-21-15-16-24(36-18(2)30)20-11-7-8-12-23(20)29(26(21)33)17-25(31)32/h4-12,21-22,24,28H,3,13-17H2,1-2H3,(H,31,32)