1-[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]propanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]propanoyl]piperidine-4-carboxylate Openeye Name: 1-[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylate IUPAC Name: 1-[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]propanoyl]isonipecotate Formula: C19H21ClN3O4- MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)[O-])NC(=O)C2=CC3=C(N2C)C=CC(=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C(=O)[O-])NC(=O)C2=CC3=C(N2C)C=CC(=C3)Cl

InChI

InChI=1S/C19H22ClN3O4/c1-11(18(25)23-7-5-12(6-8-23)19(26)27)21-17(24)16-10-13-9-14(20)3-4-15(13)22(16)2/h3-4,9-12H,5-8H2,1-2H3,(H,21,24)(H,26,27)/p-1/t11-/m0/s1