methyl 5-chloranyl-1-(2-dimethylaminoethyl)-3-phenylmethoxy-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-1-(2-dimethylaminoethyl)-3-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 3-benzyloxy-5-chloro-1-(2-dimethylaminoethyl)indole-2-carboxylate CAS Name: 5-chloro-1-(2-dimethylaminoethyl)-3-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-1-(2-dimethylaminoethyl)-3-phenylmethoxyindole-2-carboxylate Traditional Name: 3-benzoxy-5-chloro-1-(2-dimethylaminoethyl)indole-2-carboxylic acid methyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)Cl)C(=C1C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)Cl)C(=C1C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O3/c1-23(2)11-12-24-18-10-9-16(22)13-17(18)20(19(24)21(25)26-3)27-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3