ethyl 5-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]carbonyl-6-methoxy-3-(2-oxidanylidene-2-piperazin-1-yl-ethanoyl)indole-1-carboxylate

Systemtic Name: ethyl 5-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]carbonyl-6-methoxy-3-(2-oxidanylidene-2-piperazin-1-yl-ethanoyl)indole-1-carboxylate Openeye Name: ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-yl-acetyl)indole-1-carboxylate CAS Name: 3-[1,2-dioxo-2-(1-piperazinyl)ethyl]-5-[[4-[(4-fluorophenyl)methyl]-1-piperidinyl]-oxomethyl]-6-methoxy-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-(2-oxo-2-piperazin-1-ylacetyl)indole-1-carboxylate Traditional Name: 5-[4-(4-fluorobenzyl)piperidine-1-carbonyl]-3-(2-keto-2-piperazino-acetyl)-6-methoxy-indole-1-carboxylic acid ethyl ester Formula: C31H35FN4O6 MolecularWeight: 578.631203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=CC(=C(C=C21)OC)C(=O)N3CCC(CC3)CC4=CC=C(C=C4)F)C(=O)C(=O)N5CCNCC5

Isomeric SMILES

CCOC(=O)N1C=C(C2=CC(=C(C=C21)OC)C(=O)N3CCC(CC3)CC4=CC=C(C=C4)F)C(=O)C(=O)N5CCNCC5

InChI

InChI=1S/C31H35FN4O6/c1-3-42-31(40)36-19-25(28(37)30(39)35-14-10-33-11-15-35)23-17-24(27(41-2)18-26(23)36)29(38)34-12-8-21(9-13-34)16-20-4-6-22(32)7-5-20/h4-7,17-19,21,33H,3,8-16H2,1-2H3