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

Systemtic Name: 2-[3-(naphthalen-1-ylmethoxy)-6-oxidanylidene-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(1-naphthylmethoxy)-6-oxo-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]acetic acid CAS Name: 2-[3-(1-naphthalenylmethoxy)-6-oxo-11-propyl-5-benzo[b][1,4]benzodiazepinyl]acetic acid IUPAC Name: 2-[3-(naphthalen-1-ylmethoxy)-6-oxo-11-propylbenzo[b][1,4]benzodiazepin-5-yl]acetic acid Traditional Name: 2-[6-keto-3-(1-naphthylmethoxy)-11-propyl-benzo[b][1,4]benzodiazepin-5-yl]acetic acid Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)OCC3=CC=CC4=CC=CC=C43)N(C(=O)C5=CC=CC=C51)CC(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)OCC3=CC=CC4=CC=CC=C43)N(C(=O)C5=CC=CC=C51)CC(=O)O

InChI

InChI=1S/C29H26N2O4/c1-2-16-30-25-13-6-5-12-24(25)29(34)31(18-28(32)33)27-17-22(14-15-26(27)30)35-19-21-10-7-9-20-8-3-4-11-23(20)21/h3-15,17H,2,16,18-19H2,1H3,(H,32,33)