[2-ethoxy-4-(11-oxidanylidene-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[a]acridin-12-yl)phenyl] 3-methylbutanoate

Systemtic Name: [2-ethoxy-4-(11-oxidanylidene-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[a]acridin-12-yl)phenyl] 3-methylbutanoate Openeye Name: [2-ethoxy-4-(11-oxo-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[a]acridin-12-yl)phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-ethoxy-4-(11-oxo-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[a]acridin-12-yl)phenyl] ester IUPAC Name: [2-ethoxy-4-(11-oxo-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[a]acridin-12-yl)phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-ethoxy-4-(11-keto-9-phenyl-8,9,10,12-tetrahydro-7H-benz[a]acridin-12-yl)phenyl] ester Formula: C36H35NO4 MolecularWeight: 545.6674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=C2C6=CC=CC=C6C=C5)OC(=O)CC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=C2C6=CC=CC=C6C=C5)OC(=O)CC(C)C

InChI

InChI=1S/C36H35NO4/c1-4-40-32-21-25(15-17-31(32)41-33(39)18-22(2)3)34-35-27-13-9-8-12-24(27)14-16-28(35)37-29-19-26(20-30(38)36(29)34)23-10-6-5-7-11-23/h5-17,21-22,26,34,37H,4,18-20H2,1-3H3