2-[2-methyl-3-oxidanylidene-8-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-oxidanylidene-8-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[8-(benzyloxycarbonylamino)-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[2-methyl-3-oxo-8-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[2-methyl-3-oxo-8-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[8-(benzyloxycarbonylamino)-3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5/c1-23-12-17-10-18(22-21(27)28-13-14-5-3-2-4-6-14)8-7-15(17)9-16(20(23)26)11-19(24)25/h2-8,10,16H,9,11-13H2,1H3,(H,22,27)(H,24,25)