[4-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]phenyl] propanoate

Systemtic Name: [4-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]phenyl] propanoate Openeye Name: [4-[1,3-bis[(4-dimethylaminophenyl)methyl]hexahydropyrimidin-2-yl]phenyl] propanoate CAS Name: propanoic acid [4-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]phenyl] ester IUPAC Name: [4-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]phenyl] propanoate Traditional Name: propionic acid [4-[1,3-bis[4-(dimethylamino)benzyl]hexahydropyrimidin-2-yl]phenyl] ester Formula: C31H40N4O2 MolecularWeight: 500.6749

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C2N(CCCN2CC3=CC=C(C=C3)N(C)C)CC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C2N(CCCN2CC3=CC=C(C=C3)N(C)C)CC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C31H40N4O2/c1-6-30(36)37-29-18-12-26(13-19-29)31-34(22-24-8-14-27(15-9-24)32(2)3)20-7-21-35(31)23-25-10-16-28(17-11-25)33(4)5/h8-19,31H,6-7,20-23H2,1-5H3