2-methoxycarbonyl-4-phenyl-2-propyl-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid

Systemtic Name: 2-methoxycarbonyl-4-phenyl-2-propyl-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid Openeye Name: 2-methoxycarbonyl-4-phenyl-2-propyl-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid CAS Name: 2-methoxycarbonyl-4-phenyl-2-propyl-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid IUPAC Name: 2-methoxycarbonyl-4-phenyl-2-propyl-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid Traditional Name: 2-carbomethoxy-4-phenyl-2-propyl-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(N(C2=CC=CC=C2N1)C(=O)O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCC1(CC(N(C2=CC=CC=C2N1)C(=O)O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O4/c1-3-13-21(19(24)27-2)14-18(15-9-5-4-6-10-15)23(20(25)26)17-12-8-7-11-16(17)22-21/h4-12,18,22H,3,13-14H2,1-2H3,(H,25,26)