ethyl 3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(3,5-dimethyl-1-piperidyl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-(3,5-dimethyl-1-piperidinyl)-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(3,5-dimethylpiperidino)propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CC(CC(C3)C)C

InChI

InChI=1S/C22H31N3O4/c1-5-29-22(27)21-20(17-11-16(28-4)6-7-18(17)23-21)24-19(26)8-9-25-12-14(2)10-15(3)13-25/h6-7,11,14-15,23H,5,8-10,12-13H2,1-4H3,(H,24,26)