ethyl 1-(7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)piperidine-2-carboxylate

Systemtic Name: ethyl 1-(7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)piperidine-2-carboxylate Openeye Name: ethyl 1-(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)piperidine-2-carboxylate CAS Name: 1-(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)piperidine-2-carboxylate Traditional Name: 1-(7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl)pipecolinic acid ethyl ester Formula: C29H36N2O7 MolecularWeight: 524.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCCCN1C2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

InChI

InChI=1S/C29H36N2O7/c1-6-38-29(34)23-9-7-8-14-31(23)22-13-11-19-20(16-24(22)33)21(30-17(2)32)12-10-18-15-25(35-3)27(36-4)28(37-5)26(18)19/h11,13,15-16,21,23H,6-10,12,14H2,1-5H3,(H,30,32)