[5-methyl-9-oxidanylidene-3-(5-phenylpentan-2-yloxy)-6,6a,7,8-tetrahydrophenanthridin-1-yl] ethanoate

Systemtic Name: [5-methyl-9-oxidanylidene-3-(5-phenylpentan-2-yloxy)-6,6a,7,8-tetrahydrophenanthridin-1-yl] ethanoate Openeye Name: [5-methyl-3-(1-methyl-4-phenyl-butoxy)-9-oxo-6,6a,7,8-tetrahydrophenanthridin-1-yl] acetate CAS Name: acetic acid [5-methyl-9-oxo-3-(5-phenylpentan-2-yloxy)-6,6a,7,8-tetrahydrophenanthridin-1-yl] ester IUPAC Name: [5-methyl-9-oxo-3-(5-phenylpentan-2-yloxy)-6,6a,7,8-tetrahydrophenanthridin-1-yl] acetate Traditional Name: acetic acid [9-keto-5-methyl-3-(1-methyl-4-phenyl-butoxy)-6,6a,7,8-tetrahydrophenanthridin-1-yl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)OC2=CC(=C3C4=CC(=O)CCC4CN(C3=C2)C)OC(=O)C

Isomeric SMILES

CC(CCCC1=CC=CC=C1)OC2=CC(=C3C4=CC(=O)CCC4CN(C3=C2)C)OC(=O)C

InChI

InChI=1S/C27H31NO4/c1-18(8-7-11-20-9-5-4-6-10-20)31-23-15-25-27(26(16-23)32-19(2)29)24-14-22(30)13-12-21(24)17-28(25)3/h4-6,9-10,14-16,18,21H,7-8,11-13,17H2,1-3H3