(phenylmethyl) 2-[2-oxidanylidene-3-[(4-phenylphenyl)carbonylamino]azepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-oxidanylidene-3-[(4-phenylphenyl)carbonylamino]azepan-1-yl]ethanoate Openeye Name: benzyl 2-[2-oxo-3-[(4-phenylbenzoyl)amino]azepan-1-yl]acetate CAS Name: 2-[2-oxo-3-[[oxo-(4-phenylphenyl)methyl]amino]-1-azepanyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-oxo-3-[(4-phenylbenzoyl)amino]azepan-1-yl]acetate Traditional Name: 2-[2-keto-3-[(4-phenylbenzoyl)amino]azepan-1-yl]acetic acid benzyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4/c31-26(34-20-21-9-3-1-4-10-21)19-30-18-8-7-13-25(28(30)33)29-27(32)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,25H,7-8,13,18-20H2,(H,29,32)