ethyl 5-methoxy-3-[[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[(2S)-2-[(3S)-3-methyl-1-piperidyl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(2S)-2-[(3S)-3-methyl-1-piperidinyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[(2S)-2-[(3S)-3-methylpiperidino]propanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)[C@H](C)N3CCC[C@@H](C3)C

InChI

InChI=1S/C21H29N3O4/c1-5-28-21(26)19-18(16-11-15(27-4)8-9-17(16)22-19)23-20(25)14(3)24-10-6-7-13(2)12-24/h8-9,11,13-14,22H,5-7,10,12H2,1-4H3,(H,23,25)/t13-,14-/m0/s1