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

Systemtic Name: 2-(3-methylbutanoylamino)ethyl 3-[3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Openeye Name: 2-(3-methylbutanoylamino)ethyl 3-[3-(3-pyridylmethyl)-1H-indol-2-yl]propanoate CAS Name: 3-[3-(3-pyridinylmethyl)-1H-indol-2-yl]propanoic acid 2-[(3-methyl-1-oxobutyl)amino]ethyl ester IUPAC Name: 2-(3-methylbutanoylamino)ethyl 3-[3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Traditional Name: 3-[3-(3-pyridylmethyl)-1H-indol-2-yl]propionic acid 2-(isovalerylamino)ethyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCOC(=O)CCC1=C(C2=CC=CC=C2N1)CC3=CN=CC=C3

Isomeric SMILES

CC(C)CC(=O)NCCOC(=O)CCC1=C(C2=CC=CC=C2N1)CC3=CN=CC=C3

InChI

InChI=1S/C24H29N3O3/c1-17(2)14-23(28)26-12-13-30-24(29)10-9-22-20(15-18-6-5-11-25-16-18)19-7-3-4-8-21(19)27-22/h3-8,11,16-17,27H,9-10,12-15H2,1-2H3,(H,26,28)