methyl 3-[5-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate

Systemtic Name: methyl 3-[5-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Openeye Name: methyl 3-[5-[2-(3-methylbutanoylamino)ethyl]-3-(3-pyridylmethyl)-1H-indol-2-yl]propanoate CAS Name: 3-[5-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-3-(3-pyridinylmethyl)-1H-indol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Traditional Name: 3-[5-[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=CC2=C(C=C1)NC(=C2CC3=CN=CC=C3)CCC(=O)OC

Isomeric SMILES

CC(C)CC(=O)NCCC1=CC2=C(C=C1)NC(=C2CC3=CN=CC=C3)CCC(=O)OC

InChI

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