3-[(E)-3-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 3-[(E)-3-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 3-[(E)-3-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 3-[(E)-3-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 3-[(E)-3-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 3-[(E)-3-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydro-$b-carbolin-2-yl]-3-keto-prop-1-enyl]benzoic acid Formula: C28H22N2O5 MolecularWeight: 466.48468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C=CC6=CC(=CC=C6)C(=O)O

Isomeric SMILES

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)/C=C/C6=CC(=CC=C6)C(=O)O

InChI

InChI=1S/C28H22N2O5/c31-25(11-8-17-4-3-5-19(14-17)28(32)33)30-13-12-21-20-6-1-2-7-22(20)29-26(21)27(30)18-9-10-23-24(15-18)35-16-34-23/h1-11,14-15,27,29H,12-13,16H2,(H,32,33)/b11-8+