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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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