methyl 3-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]amino]propanoate

Systemtic Name: methyl 3-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]amino]propanoate Openeye Name: methyl 3-[[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]amino]propanoate CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]amino]propanoate Traditional Name: 3-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]amino]propionic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCCC(=O)OC)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCCC(=O)OC)CC(=O)N

InChI

InChI=1S/C22H25N3O3/c1-15-18(13-21(23)26)19-12-17(24-11-10-22(27)28-2)8-9-20(19)25(15)14-16-6-4-3-5-7-16/h3-9,12,24H,10-11,13-14H2,1-2H3,(H2,23,26)