N-[1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-cyclohexane-1-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylcarbamoyl)-3-methyl-butyl]-4-methyl-cyclohexanecarboxamide CAS Name: N-[1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxopentan-2-yl]-4-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-ylcarbamoyl)-3-methyl-butyl]-4-methyl-cyclohexanecarboxamide Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1CCC(CC1)C(=O)NC(CC(C)C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H30N2O4/c1-13(2)10-17(23-20(24)15-6-4-14(3)5-7-15)21(25)22-16-8-9-18-19(11-16)27-12-26-18/h8-9,11,13-15,17H,4-7,10,12H2,1-3H3,(H,22,25)(H,23,24)