methyl 3-[[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]benzoate

Systemtic Name: methyl 3-[[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]benzoate Openeye Name: methyl 3-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]benzoate CAS Name: 3-[oxo-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]benzoate Traditional Name: 3-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]benzoic acid methyl ester Formula: C24H21NO4 MolecularWeight: 387.42784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO4/c1-28-24(27)19-12-7-11-18(14-19)23(26)25-15-20-10-5-6-13-21(20)29-22(16-25)17-8-3-2-4-9-17/h2-14,22H,15-16H2,1H3/t22-/m1/s1