[2-methoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] pentanoate

Systemtic Name: [2-methoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] pentanoate Openeye Name: [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] pentanoate CAS Name: pentanoic acid [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] ester IUPAC Name: [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] pentanoate Traditional Name: valeric acid [4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)-2-methoxy-phenyl] ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC

InChI

InChI=1S/C29H29NO4/c1-3-4-12-26(32)34-24-16-14-19(17-25(24)33-2)29-28-21(10-7-11-23(28)31)27-20-9-6-5-8-18(20)13-15-22(27)30-29/h5-6,8-9,13-17,29-30H,3-4,7,10-12H2,1-2H3