2-phenyl-2-(7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanoic acid

Systemtic Name: 2-phenyl-2-(7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanoic acid Openeye Name: 2-phenyl-2-(7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)acetic acid CAS Name: 2-phenyl-2-(7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)acetic acid IUPAC Name: 2-phenyl-2-(7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)acetic acid Traditional Name: 2-phenyl-2-(7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)acetic acid Formula: C23H22N2O2 MolecularWeight: 358.43298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(N1)C=CC(=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CC2=C(N1)C=CC(=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H22N2O2/c26-23(27)22(18-9-5-2-6-10-18)25-14-13-24-21-12-11-19(15-20(21)16-25)17-7-3-1-4-8-17/h1-12,15,22,24H,13-14,16H2,(H,26,27)