2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid Openeye Name: 2-(4-benzyl-1-piperidyl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(phenylmethyl)-1-piperidinyl]acetic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-(4-benzylpiperidino)-2-[6-(isobutyrylamino)-1H-indol-3-yl]acetic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-17(2)25(30)28-20-8-9-21-22(16-27-23(21)15-20)24(26(31)32)29-12-10-19(11-13-29)14-18-6-4-3-5-7-18/h3-9,15-17,19,24,27H,10-14H2,1-2H3,(H,28,30)(H,31,32)