methyl 3-(5-chloranyl-1-ethyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 3-(5-chloranyl-1-ethyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(5-chloro-1-ethyl-indol-3-yl)butanoate CAS Name: 3-(5-chloro-1-ethyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 3-(5-chloro-1-ethylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-chloro-1-ethyl-indol-3-yl)butyric acid methyl ester Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25ClN2O4/c1-4-26-13-19(18-12-17(24)10-11-20(18)26)15(2)21(22(27)29-3)25-23(28)30-14-16-8-6-5-7-9-16/h5-13,15,21H,4,14H2,1-3H3,(H,25,28)