2-[3-oxidanylidene-2-phenethyl-7-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-2-phenethyl-7-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-(benzyloxycarbonylamino)-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[3-oxo-2-phenethyl-7-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-2-phenethyl-7-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[7-(benzyloxycarbonylamino)-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)NC(=O)OCC3=CC=CC=C3)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)NC(=O)OCC3=CC=CC=C3)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C28H28N2O5/c31-26(32)17-24-15-23-16-25(29-28(34)35-19-21-9-5-2-6-10-21)12-11-22(23)18-30(27(24)33)14-13-20-7-3-1-4-8-20/h1-12,16,24H,13-15,17-19H2,(H,29,34)(H,31,32)