2-methylpropyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: isobutyl 4-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 4-[[4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 4-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoic acid isobutyl ester Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=CC=C(C=C3)C(=O)OCC(C)C)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=CC=C(C=C3)C(=O)OCC(C)C)C4=CC=CC=N4

InChI

InChI=1S/C29H31N3O3/c1-19(2)18-35-29(34)21-11-13-22(14-12-21)31-27(33)9-6-7-23-24-17-20(3)10-15-25(24)32-28(23)26-8-4-5-16-30-26/h4-5,8,10-17,19,32H,6-7,9,18H2,1-3H3,(H,31,33)