2-[5-(dimethylaminomethyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(dimethylaminomethyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-(dimethylaminomethyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(dimethylaminomethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(dimethylaminomethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-(dimethylaminomethyl)-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2CN(C)C)NC(=O)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2CN(C)C)NC(=O)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C23H26N4O5/c1-15-8-7-11-17-18(12-26(2)3)24-21(22(30)27(20(15)17)13-19(28)29)25-23(31)32-14-16-9-5-4-6-10-16/h4-11,21H,12-14H2,1-3H3,(H,25,31)(H,28,29)