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

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-yl)-5-(6-methoxynaphthalen-2-yl)-3-oxidanylidene-pentyl]amino]benzoic acid Openeye Name: 4-[[1-(1,3-benzodioxol-5-yl)-5-(6-methoxy-2-naphthyl)-3-oxo-pentyl]amino]benzoic acid CAS Name: 4-[[1-(1,3-benzodioxol-5-yl)-5-(6-methoxy-2-naphthalenyl)-3-oxopentyl]amino]benzoic acid IUPAC Name: 4-[[1-(1,3-benzodioxol-5-yl)-5-(6-methoxynaphthalen-2-yl)-3-oxopentyl]amino]benzoic acid Traditional Name: 4-[[1-(1,3-benzodioxol-5-yl)-3-keto-5-(6-methoxy-2-naphthyl)pentyl]amino]benzoic acid Formula: C30H27NO6 MolecularWeight: 497.53848

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=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)CC(C3=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C30H27NO6/c1-35-26-12-7-21-14-19(2-4-22(21)15-26)3-11-25(32)17-27(23-8-13-28-29(16-23)37-18-36-28)31-24-9-5-20(6-10-24)30(33)34/h2,4-10,12-16,27,31H,3,11,17-18H2,1H3,(H,33,34)