1-heptyl-3-(2-methoxy-4-methyl-1H-pyridin-2-yl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea

Systemtic Name: 1-heptyl-3-(2-methoxy-4-methyl-1H-pyridin-2-yl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea Openeye Name: 1-heptyl-1-[(4-isopentylphenyl)methyl]-3-(2-methoxy-4-methyl-1H-pyridin-2-yl)urea CAS Name: 1-heptyl-3-(2-methoxy-4-methyl-1H-pyridin-2-yl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea IUPAC Name: 1-heptyl-3-(2-methoxy-4-methyl-1H-pyridin-2-yl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea Traditional Name: 1-heptyl-1-(4-isoamylbenzyl)-3-(2-methoxy-4-methyl-1H-pyridin-2-yl)urea Formula: C27H43N3O2 MolecularWeight: 441.64922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2(C=C(C=CN2)C)OC

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2(C=C(C=CN2)C)OC

InChI

InChI=1S/C27H43N3O2/c1-6-7-8-9-10-19-30(21-25-15-13-24(14-16-25)12-11-22(2)3)26(31)29-27(32-5)20-23(4)17-18-28-27/h13-18,20,22,28H,6-12,19,21H2,1-5H3,(H,29,31)