methyl 5-chloranyl-3-[3-(4-ethoxycarbonylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[3-(4-ethoxycarbonylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[3-(4-ethoxycarbonyl-1-piperidyl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[3-(4-ethoxycarbonyl-1-piperidinyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[3-(4-ethoxycarbonylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-carbethoxypiperidino)propanoylamino]-5-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C21H26ClN3O5 MolecularWeight: 435.90124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H26ClN3O5/c1-3-30-20(27)13-6-9-25(10-7-13)11-8-17(26)24-18-15-12-14(22)4-5-16(15)23-19(18)21(28)29-2/h4-5,12-13,23H,3,6-11H2,1-2H3,(H,24,26)