methyl 2-[8-(hydroxymethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: methyl 2-[8-(hydroxymethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[8-(hydroxymethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-(hydroxymethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[8-(hydroxymethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-(3-keto-8-methylol-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CC2=C(N1)C=C(C=C2)CO)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1C(=O)N(CC2=C(N1)C=C(C=C2)CO)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4/c1-27-20(25)12-19-21(26)23(10-9-15-5-3-2-4-6-15)13-17-8-7-16(14-24)11-18(17)22-19/h2-8,11,19,22,24H,9-10,12-14H2,1H3