methyl 2-azanyl-3-(1-butyl-5-chloranyl-2-methyl-indol-3-yl)butanoate

Systemtic Name: methyl 2-azanyl-3-(1-butyl-5-chloranyl-2-methyl-indol-3-yl)butanoate Openeye Name: methyl 2-amino-3-(1-butyl-5-chloro-2-methyl-indol-3-yl)butanoate CAS Name: 2-amino-3-(1-butyl-5-chloro-2-methyl-3-indolyl)butanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(1-butyl-5-chloro-2-methylindol-3-yl)butanoate Traditional Name: 2-amino-3-(1-butyl-5-chloro-2-methyl-indol-3-yl)butyric acid methyl ester Formula: C18H25ClN2O2 MolecularWeight: 336.8563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)OC)N)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)OC)N)C

InChI

InChI=1S/C18H25ClN2O2/c1-5-6-9-21-12(3)16(11(2)17(20)18(22)23-4)14-10-13(19)7-8-15(14)21/h7-8,10-11,17H,5-6,9,20H2,1-4H3