4-[[6-(butanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(butanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(butanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-(1-oxobutylamino)-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(butanoylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[(6-butyramidoindol-1-yl)methyl]-3-methoxy-benzoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C21H22N2O4/c1-3-4-20(24)22-17-8-7-14-9-10-23(18(14)12-17)13-16-6-5-15(21(25)26)11-19(16)27-2/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H,25,26)