ethanedioic acid; ethyl 4-methyl-1-naphthalen-2-yl-3,5-dihydro-2H-1,4-benzodiazepine-8-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-methyl-1-naphthalen-2-yl-3,5-dihydro-2H-1,4-benzodiazepine-8-carboxylate Openeye Name: ethyl 4-methyl-1-(2-naphthyl)-3,5-dihydro-2H-1,4-benzodiazepine-8-carboxylate; oxalic acid CAS Name: 4-methyl-1-(2-naphthalenyl)-3,5-dihydro-2H-1,4-benzodiazepine-8-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-methyl-1-naphthalen-2-yl-3,5-dihydro-2H-1,4-benzodiazepine-8-carboxylate; oxalic acid Traditional Name: 4-methyl-1-(2-naphthyl)-3,5-dihydro-2H-1,4-benzodiazepine-8-carboxylic acid ethyl ester; oxalic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CN(CCN2C3=CC4=CC=CC=C4C=C3)C)C=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(CN(CCN2C3=CC4=CC=CC=C4C=C3)C)C=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2O2.C2H2O4/c1-3-27-23(26)19-8-9-20-16-24(2)12-13-25(22(20)15-19)21-11-10-17-6-4-5-7-18(17)14-21;3-1(4)2(5)6/h4-11,14-15H,3,12-13,16H2,1-2H3;(H,3,4)(H,5,6)