(phenylmethyl) 2-[(3S)-5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3S)-5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]ethanoate Openeye Name: benzyl 2-[(3S)-5-cyclohexyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]acetate CAS Name: 2-[(3S)-5-cyclohexyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3S)-5-cyclohexyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]acetate Traditional Name: 2-[(3S)-5-cyclohexyl-2-keto-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid benzyl ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C=CC=CC3=NC(=O)C(N2)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=C3C=CC=CC3=NC(=O)[C@@H](N2)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3/c27-22(29-16-17-9-3-1-4-10-17)15-21-24(28)26-20-14-8-7-13-19(20)23(25-21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,21,25H,2,5-6,11-12,15-16H2/t21-/m0/s1