2-[4-[(2-butyl-4,6-dimethyl-2-pentyl-7-propyl-1,3-benzodioxol-5-yl)methoxycarbonylamino]-2-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(2-butyl-4,6-dimethyl-2-pentyl-7-propyl-1,3-benzodioxol-5-yl)methoxycarbonylamino]-2-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[4-[(2-butyl-4,6-dimethyl-2-pentyl-7-propyl-1,3-benzodioxol-5-yl)methoxycarbonylamino]-2-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[4-[[(2-butyl-4,6-dimethyl-2-pentyl-7-propyl-1,3-benzodioxol-5-yl)methoxy-oxomethyl]amino]-2-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[4-[(2-butyl-4,6-dimethyl-2-pentyl-7-propyl-1,3-benzodioxol-5-yl)methoxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[4-[(2-amyl-2-butyl-4,6-dimethyl-7-propyl-1,3-benzodioxol-5-yl)methoxycarbonylamino]-2-keto-pyrimidin-1-yl]acetic acid Formula: C29H41N3O7 MolecularWeight: 543.65174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2=C(C(=C(C(=C2O1)CCC)C)COC(=O)NC3=NC(=O)N(C=C3)CC(=O)O)C)CCCC

Isomeric SMILES

CCCCCC1(OC2=C(C(=C(C(=C2O1)CCC)C)COC(=O)NC3=NC(=O)N(C=C3)CC(=O)O)C)CCCC

InChI

InChI=1S/C29H41N3O7/c1-6-9-11-15-29(14-10-7-2)38-25-20(5)22(19(4)21(12-8-3)26(25)39-29)18-37-28(36)31-23-13-16-32(17-24(33)34)27(35)30-23/h13,16H,6-12,14-15,17-18H2,1-5H3,(H,33,34)(H,30,31,35,36)