3-ethyl-2-methoxycarbonyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid

Systemtic Name: 3-ethyl-2-methoxycarbonyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid Openeye Name: 3-ethyl-2-methoxycarbonyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid CAS Name: 3-ethyl-2-methoxycarbonyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid IUPAC Name: 3-ethyl-2-methoxycarbonyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid Traditional Name: 2-carbomethoxy-3-ethyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C2=C(C=CC(=C2)C3=CC=CC=C3)NC1C(=O)OC)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCC1C(N(C2=C(C=CC(=C2)C3=CC=CC=C3)NC1C(=O)OC)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4/c1-3-20-23(25(29)32-2)27-21-15-14-19(17-10-6-4-7-11-17)16-22(21)28(26(30)31)24(20)18-12-8-5-9-13-18/h4-16,20,23-24,27H,3H2,1-2H3,(H,30,31)