4-[[3-naphthalen-2-ylcarbonyl-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-phenylmethoxy-indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-naphthalen-2-ylcarbonyl-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-phenylmethoxy-indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-benzyloxy-2-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-3-(naphthalene-2-carbonyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-[2-naphthalenyl(oxo)methyl]-5-phenylmethoxy-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-(naphthalene-2-carbonyl)-5-phenylmethoxyindol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-benzoxy-2-[(E)-3-hydroxy-3-keto-prop-1-enyl]-3-(2-naphthoyl)indol-1-yl]methyl]benzoic acid Formula: C37H27NO6 MolecularWeight: 581.61338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=O)O)CC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C(=O)C4=CC5=CC=CC=C5C=C4)/C=C/C(=O)O)CC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C37H27NO6/c39-34(40)19-18-33-35(36(41)29-15-14-26-8-4-5-9-28(26)20-29)31-21-30(44-23-25-6-2-1-3-7-25)16-17-32(31)38(33)22-24-10-12-27(13-11-24)37(42)43/h1-21H,22-23H2,(H,39,40)(H,42,43)/b19-18+