4-[[4-(3-ethoxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]carbonyl]benzoic acid

Systemtic Name: 4-[[4-(3-ethoxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]carbonyl]benzoic acid Openeye Name: 4-[4-(3-ethoxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydro-1H-phthalazine-2-carbonyl]benzoic acid CAS Name: 4-[[4-(3-ethoxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-(3-ethoxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-1H-phthalazine-2-carbonyl]benzoic acid Traditional Name: 4-[4-(3-ethoxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydro-1H-phthalazine-2-carbonyl]benzoic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NN(CC3C2CC=CC3)C(=O)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NN(CC3C2CC=CC3)C(=O)C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C25H26N2O5/c1-3-32-22-14-18(12-13-21(22)31-2)23-20-7-5-4-6-19(20)15-27(26-23)24(28)16-8-10-17(11-9-16)25(29)30/h4-5,8-14,19-20H,3,6-7,15H2,1-2H3,(H,29,30)