ethyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)methyl]amino]ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)methyl]amino]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)methyl]amino]acetate CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]amino]acetate Traditional Name: 2-[homopiperonylcarbamoyl-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)methyl]amino]acetic acid ethyl ester Formula: C23H26N6O5 MolecularWeight: 466.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=NC(=NC(=C1)C)N2C=CN=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CN(CC1=NC(=NC(=C1)C)N2C=CN=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N6O5/c1-3-32-21(30)13-29(12-18-10-16(2)26-22(27-18)28-9-8-24-14-28)23(31)25-7-6-17-4-5-19-20(11-17)34-15-33-19/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,25,31)