[4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 3,4-dimethoxybenzoate

Systemtic Name: [4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 3,4-dimethoxybenzoate Openeye Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester IUPAC Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2CCC3=C2C(=NC=N3)NC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2CCC3=C2C(=NC=N3)NC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C23H20N4O4/c1-29-18-9-5-15(11-20(18)30-2)23(28)31-19-10-8-17-21(19)22(26-13-25-17)27-16-6-3-14(12-24)4-7-16/h3-7,9,11,13,19H,8,10H2,1-2H3,(H,25,26,27)