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

Systemtic Name: 4-[[6-(hexylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(hexylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[[(hexylamino)-oxomethyl]amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(hexylcarbamoylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(hexylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-3-4-5-6-12-25-24(30)26-20-10-9-17-11-13-27(21(17)15-20)16-19-8-7-18(23(28)29)14-22(19)31-2/h7-11,13-15H,3-6,12,16H2,1-2H3,(H,28,29)(H2,25,26,30)