[4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxy-phenyl] pentanoate

Systemtic Name: [4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxy-phenyl] pentanoate Openeye Name: [4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxy-phenyl] pentanoate CAS Name: pentanoic acid [4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl] pentanoate Traditional Name: valeric acid [4-(4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxy-phenyl] ester Formula: C31H33NO4 MolecularWeight: 483.59802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC

InChI

InChI=1S/C31H33NO4/c1-5-6-11-27(34)36-25-15-13-20(16-26(25)35-4)30-29-22(17-31(2,3)18-24(29)33)28-21-10-8-7-9-19(21)12-14-23(28)32-30/h7-10,12-16,30,32H,5-6,11,17-18H2,1-4H3