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

Systemtic Name: methyl 3-[[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]-ethanoyl-amino]propanoate Openeye Name: methyl 3-[acetyl-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2-ethyl-indol-4-yl]amino]propanoate CAS Name: 3-[acetyl-[3-(2-chloro-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[acetyl-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-ethylindol-4-yl]amino]propanoate Traditional Name: 3-[acetyl-[1-benzyl-3-(2-chloro-2-keto-acetyl)-2-ethyl-indol-4-yl]amino]propionic acid methyl ester Formula: C25H25ClN2O5 MolecularWeight: 468.9294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2N(CCC(=O)OC)C(=O)C)C(=O)C(=O)Cl

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2N(CCC(=O)OC)C(=O)C)C(=O)C(=O)Cl

InChI

InChI=1S/C25H25ClN2O5/c1-4-18-23(24(31)25(26)32)22-19(27(16(2)29)14-13-21(30)33-3)11-8-12-20(22)28(18)15-17-9-6-5-7-10-17/h5-12H,4,13-15H2,1-3H3