methyl 5-chloranyl-3-[2-[(3R)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[2-[(3R)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[2-[(3R)-3-(2-ethoxy-2-oxo-ethyl)-2-oxo-piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[2-[(3R)-3-(2-ethoxy-2-oxoethyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[2-[(3R)-3-(2-ethoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-[(3R)-3-(2-ethoxy-2-keto-ethyl)-2-keto-piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H23ClN4O6 MolecularWeight: 450.87282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(CCN1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)N(CCN1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H23ClN4O6/c1-3-31-16(27)9-14-19(28)25(7-6-22-14)10-15(26)24-17-12-8-11(21)4-5-13(12)23-18(17)20(29)30-2/h4-5,8,14,22-23H,3,6-7,9-10H2,1-2H3,(H,24,26)/t14-/m1/s1