ethyl 5-[6,6-dimethyl-2-oxidanyl-10-oxidanylidene-3-(5-phenylpentan-2-yl)-8,9-dihydro-7H-phenanthridin-5-yl]pentanoate

Systemtic Name: ethyl 5-[6,6-dimethyl-2-oxidanyl-10-oxidanylidene-3-(5-phenylpentan-2-yl)-8,9-dihydro-7H-phenanthridin-5-yl]pentanoate Openeye Name: ethyl 5-[2-hydroxy-6,6-dimethyl-3-(1-methyl-4-phenyl-butyl)-10-oxo-8,9-dihydro-7H-phenanthridin-5-yl]pentanoate CAS Name: 5-[2-hydroxy-6,6-dimethyl-10-oxo-3-(5-phenylpentan-2-yl)-8,9-dihydro-7H-phenanthridin-5-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-hydroxy-6,6-dimethyl-10-oxo-3-(5-phenylpentan-2-yl)-8,9-dihydro-7H-phenanthridin-5-yl]pentanoate Traditional Name: 5-[2-hydroxy-10-keto-6,6-dimethyl-3-(1-methyl-4-phenyl-butyl)-8,9-dihydro-7H-phenanthridin-5-yl]valeric acid ethyl ester Formula: C33H43NO4 MolecularWeight: 517.69882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C2=CC(=C(C=C2C3=C(C1(C)C)CCCC3=O)O)C(C)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCCCN1C2=CC(=C(C=C2C3=C(C1(C)C)CCCC3=O)O)C(C)CCCC4=CC=CC=C4

InChI

InChI=1S/C33H43NO4/c1-5-38-31(37)19-9-10-20-34-28-21-25(23(2)13-11-16-24-14-7-6-8-15-24)30(36)22-26(28)32-27(33(34,3)4)17-12-18-29(32)35/h6-8,14-15,21-23,36H,5,9-13,16-20H2,1-4H3