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

Systemtic Name: 3-methoxy-4-[[6-(pent-4-ynoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-(pent-4-ynoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-(1-oxopent-4-ynylamino)-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(pent-4-ynoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[6-(pent-4-ynoylamino)indol-1-yl]methyl]benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CCC#C

InChI

InChI=1S/C22H20N2O4/c1-3-4-5-21(25)23-18-9-8-15-10-11-24(19(15)13-18)14-17-7-6-16(22(26)27)12-20(17)28-2/h1,6-13H,4-5,14H2,2H3,(H,23,25)(H,26,27)