[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(3-phenylpropanoyl)indol-5-yl] ethanoate

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(3-phenylpropanoyl)indol-5-yl] ethanoate Openeye Name: [3-(2-amino-2-oxo-ethyl)-2-methyl-1-(3-phenylpropanoyl)indol-5-yl] acetate CAS Name: acetic acid [3-(2-amino-2-oxoethyl)-2-methyl-1-(1-oxo-3-phenylpropyl)-5-indolyl] ester IUPAC Name: [3-(2-amino-2-oxoethyl)-2-methyl-1-(3-phenylpropanoyl)indol-5-yl] acetate Traditional Name: acetic acid [3-(2-amino-2-keto-ethyl)-1-hydrocinnamoyl-2-methyl-indol-5-yl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)CCC3=CC=CC=C3)C=CC(=C2)OC(=O)C)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1C(=O)CCC3=CC=CC=C3)C=CC(=C2)OC(=O)C)CC(=O)N

InChI

InChI=1S/C22H22N2O4/c1-14-18(13-21(23)26)19-12-17(28-15(2)25)9-10-20(19)24(14)22(27)11-8-16-6-4-3-5-7-16/h3-7,9-10,12H,8,11,13H2,1-2H3,(H2,23,26)