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

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-[6-(isobutyrylamino)-1H-indol-3-yl]-2-[4-(3-methoxyphenyl)piperazino]acetic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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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)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H30N4O4/c1-16(2)24(30)27-17-7-8-20-21(15-26-22(20)13-17)23(25(31)32)29-11-9-28(10-12-29)18-5-4-6-19(14-18)33-3/h4-8,13-16,23,26H,9-12H2,1-3H3,(H,27,30)(H,31,32)