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

Systemtic Name: (phenylmethyl) 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxypropanoate Openeye Name: benzyl 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropanoate CAS Name: 3-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxypropanoate Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypropionic acid benzyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCC(=O)OCC4=CC=CC=C4)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCC(=O)OCC4=CC=CC=C4)CC(=O)N

InChI

InChI=1S/C28H28N2O4/c1-20-24(17-27(29)31)25-16-23(12-13-26(25)30(20)18-21-8-4-2-5-9-21)33-15-14-28(32)34-19-22-10-6-3-7-11-22/h2-13,16H,14-15,17-19H2,1H3,(H2,29,31)