methyl 3-[4-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate

Systemtic Name: methyl 3-[4-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Openeye Name: methyl 3-[4-[2-(3-methylbutanoylamino)ethyl]-3-(3-pyridylmethyl)-1H-indol-2-yl]propanoate CAS Name: 3-[4-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-3-(3-pyridinylmethyl)-1H-indol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Traditional Name: 3-[4-[2-(isovalerylamino)ethyl]-3-(3-pyridylmethyl)-1H-indol-2-yl]propionic acid methyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCC1=C2C(=CC=C1)NC(=C2CC3=CN=CC=C3)CCC(=O)OC

Isomeric SMILES

CC(C)CC(=O)NCCC1=C2C(=CC=C1)NC(=C2CC3=CN=CC=C3)CCC(=O)OC

InChI

InChI=1S/C25H31N3O3/c1-17(2)14-23(29)27-13-11-19-7-4-8-22-25(19)20(15-18-6-5-12-26-16-18)21(28-22)9-10-24(30)31-3/h4-8,12,16-17,28H,9-11,13-15H2,1-3H3,(H,27,29)