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3-(1,3-benzodioxol-5-yl)-6-methoxy-1-phenyl-indole-2-carboxylic acid

3-(1,3-benzodioxol-5-yl)-6-methoxy-1-phenyl-indole-2-carboxylic acid

Systemtic Name:3-(1,3-benzodioxol-5-yl)-6-methoxy-1-phenyl-indole-2-carboxylic acid
Openeye Name:3-(1,3-benzodioxol-5-yl)-6-methoxy-1-phenyl-indole-2-carboxylic acid
CAS Name:3-(1,3-benzodioxol-5-yl)-6-methoxy-1-phenyl-2-indolecarboxylic acid
IUPAC Name:3-(1,3-benzodioxol-5-yl)-6-methoxy-1-phenylindole-2-carboxylic acid
Traditional Name:3-(1,3-benzodioxol-5-yl)-6-methoxy-1-phenyl-indole-2-carboxylic acid
Formula: C23H17NO5
MolecularWeight: 387.38478
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2C3=CC=CC=C3)C(=O)O)C4=CC5=C(C=C4)OCO5


Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2C3=CC=CC=C3)C(=O)O)C4=CC5=C(C=C4)OCO5


InChI

InChI=1S/C23H17NO5/c1-27-16-8-9-17-18(12-16)24(15-5-3-2-4-6-15)22(23(25)26)21(17)14-7-10-19-20(11-14)29-13-28-19/h2-12H,13H2,1H3,(H,25,26)


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