4-[[1-(3-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)-3-oxidanylidene-pentyl]amino]benzoic acid

Systemtic Name: 4-[[1-(3-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)-3-oxidanylidene-pentyl]amino]benzoic acid Openeye Name: 4-[[1-(3-chlorophenyl)-5-(6-methoxy-2-naphthyl)-3-oxo-pentyl]amino]benzoic acid CAS Name: 4-[[1-(3-chlorophenyl)-5-(6-methoxy-2-naphthalenyl)-3-oxopentyl]amino]benzoic acid IUPAC Name: 4-[[1-(3-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)-3-oxopentyl]amino]benzoic acid Traditional Name: 4-[[1-(3-chlorophenyl)-3-keto-5-(6-methoxy-2-naphthyl)pentyl]amino]benzoic acid Formula: C29H26ClNO4 MolecularWeight: 487.97404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)CC(C3=CC(=CC=C3)Cl)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)CC(C3=CC(=CC=C3)Cl)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H26ClNO4/c1-35-27-14-10-21-15-19(5-7-22(21)17-27)6-13-26(32)18-28(23-3-2-4-24(30)16-23)31-25-11-8-20(9-12-25)29(33)34/h2-5,7-12,14-17,28,31H,6,13,18H2,1H3,(H,33,34)