1-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]piperidine-4-carboxamide

Systemtic Name: 1-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]piperidine-4-carboxamide Openeye Name: 1-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]piperidine-4-carboxamide CAS Name: 1-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]piperidine-4-carboxamide Traditional Name: 1-[(7S)-7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl]isonipecotamide Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCC(CC4)C(=O)N)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCC(CC4)C(=O)N)OC)OC)OC

InChI

InChI=1S/C27H33N3O6/c1-15(31)29-20-7-5-17-13-23(34-2)25(35-3)26(36-4)24(17)18-6-8-21(22(32)14-19(18)20)30-11-9-16(10-12-30)27(28)33/h6,8,13-14,16,20H,5,7,9-12H2,1-4H3,(H2,28,33)(H,29,31)/t20-/m0/s1