ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-4-yl]oxybutanoate

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-4-yl]oxybutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxybutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-4-yl]oxybutanoate Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxybutyric acid ethyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=CC2=C1C(=C(N2CC3=CC=CC=C3)C)CC(=O)N

Isomeric SMILES

CCOC(=O)CCCOC1=CC=CC2=C1C(=C(N2CC3=CC=CC=C3)C)CC(=O)N

InChI

InChI=1S/C24H28N2O4/c1-3-29-23(28)13-8-14-30-21-12-7-11-20-24(21)19(15-22(25)27)17(2)26(20)16-18-9-5-4-6-10-18/h4-7,9-12H,3,8,13-16H2,1-2H3,(H2,25,27)