methyl 3-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-methyl-1-(phenylmethyl)indol-4-yl]propanoate

Systemtic Name: methyl 3-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-methyl-1-(phenylmethyl)indol-4-yl]propanoate Openeye Name: methyl 3-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2-methyl-indol-4-yl]propanoate CAS Name: 3-[3-(2-chloro-1,2-dioxoethyl)-2-methyl-1-(phenylmethyl)-4-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-methylindol-4-yl]propanoate Traditional Name: 3-[1-benzyl-3-(2-chloro-2-keto-acetyl)-2-methyl-indol-4-yl]propionic acid methyl ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)CCC(=O)OC)C(=O)C(=O)Cl

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)CCC(=O)OC)C(=O)C(=O)Cl

InChI

InChI=1S/C22H20ClNO4/c1-14-19(21(26)22(23)27)20-16(11-12-18(25)28-2)9-6-10-17(20)24(14)13-15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3