methyl 2-(4-chloranylbutanoylamino)-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoate

Systemtic Name: methyl 2-(4-chloranylbutanoylamino)-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoate Openeye Name: methyl 2-(4-chlorobutanoylamino)-3-(4-isopentyl-1H-indol-3-yl)propanoate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 2-(4-chlorobutanoylamino)-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoate Traditional Name: 2-(4-chlorobutanoylamino)-3-(4-isoamyl-1H-indol-3-yl)propionic acid methyl ester Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C2C(=CC=C1)NC=C2CC(C(=O)OC)NC(=O)CCCCl

Isomeric SMILES

CC(C)CCC1=C2C(=CC=C1)NC=C2CC(C(=O)OC)NC(=O)CCCCl

InChI

InChI=1S/C21H29ClN2O3/c1-14(2)9-10-15-6-4-7-17-20(15)16(13-23-17)12-18(21(26)27-3)24-19(25)8-5-11-22/h4,6-7,13-14,18,23H,5,8-12H2,1-3H3,(H,24,25)