2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-2-[5-(isobutyrylamino)-1H-indol-3-yl]acetic acid Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H30N4O4/c1-16(2)25(32)28-19-6-9-23-21(14-19)22(15-27-23)24(26(33)34)30-12-10-29(11-13-30)20-7-4-18(5-8-20)17(3)31/h4-9,14-16,24,27H,10-13H2,1-3H3,(H,28,32)(H,33,34)