2-[3-(naphthalen-1-ylmethylamino)-6-oxidanylidene-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(naphthalen-1-ylmethylamino)-6-oxidanylidene-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(1-naphthylmethylamino)-6-oxo-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]acetic acid CAS Name: 2-[3-(1-naphthalenylmethylamino)-6-oxo-11-propyl-5-benzo[b][1,4]benzodiazepinyl]acetic acid IUPAC Name: 2-[3-(naphthalen-1-ylmethylamino)-6-oxo-11-propylbenzo[b][1,4]benzodiazepin-5-yl]acetic acid Traditional Name: 2-[6-keto-3-(1-naphthylmethylamino)-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]acetic acid Formula: C29H27N3O3 MolecularWeight: 465.54298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NCC3=CC=CC4=CC=CC=C43)N(C(=O)C5=CC=CC=C51)CC(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NCC3=CC=CC4=CC=CC=C43)N(C(=O)C5=CC=CC=C51)CC(=O)O

InChI

InChI=1S/C29H27N3O3/c1-2-16-31-25-13-6-5-12-24(25)29(35)32(19-28(33)34)27-17-22(14-15-26(27)31)30-18-21-10-7-9-20-8-3-4-11-23(20)21/h3-15,17,30H,2,16,18-19H2,1H3,(H,33,34)