(phenylmethyl) 2-[(5S)-6-oxidanylidene-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5S)-6-oxidanylidene-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]ethanoate Openeye Name: benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate CAS Name: 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate Traditional Name: 2-[(5S)-6-keto-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetic acid benzyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC2C(=O)NC3=CC=CC=C3C4=CC=CN24

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3C4=CC=CN24

InChI

InChI=1S/C21H18N2O3/c24-20(26-14-15-7-2-1-3-8-15)13-19-21(25)22-17-10-5-4-9-16(17)18-11-6-12-23(18)19/h1-12,19H,13-14H2,(H,22,25)/t19-/m0/s1