[6-methyl-9-oxidanylidene-3-(4-phenylbutoxy)-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] ethanoate

Systemtic Name: [6-methyl-9-oxidanylidene-3-(4-phenylbutoxy)-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] ethanoate Openeye Name: [6-methyl-9-oxo-3-(4-phenylbutoxy)-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] acetate CAS Name: acetic acid [6-methyl-9-oxo-3-(4-phenylbutoxy)-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] ester IUPAC Name: [6-methyl-9-oxo-3-(4-phenylbutoxy)-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] acetate Traditional Name: acetic acid [9-keto-6-methyl-3-(4-phenylbutoxy)-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC(=O)CC2C3=C(C=C(C=C3N1)OCCCCC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC1C2CCC(=O)CC2C3=C(C=C(C=C3N1)OCCCCC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C26H31NO4/c1-17-22-12-11-20(29)14-23(22)26-24(27-17)15-21(16-25(26)31-18(2)28)30-13-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,15-17,22-23,27H,6-7,10-14H2,1-2H3