N-[(4-chlorophenyl)methyl]-N-[(2S)-2,5-dimethyl-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-N-[(2S)-2,5-dimethyl-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-N-[(1S)-1,4-dimethyl-1-(phenylcarbamoyl)pentyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-1-anilino-2,5-dimethyl-1-oxohexan-2-yl]-N-[(4-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-1-anilino-2,5-dimethyl-1-oxohexan-2-yl]-N-[(4-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-chlorobenzyl)-N-[(1S)-1,4-dimethyl-1-(phenylcarbamoyl)pentyl]-piperonylamide Formula: C29H31ClN2O4 MolecularWeight: 507.02044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)(C(=O)NC1=CC=CC=C1)N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC[C@@](C)(C(=O)NC1=CC=CC=C1)N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C29H31ClN2O4/c1-20(2)15-16-29(3,28(34)31-24-7-5-4-6-8-24)32(18-21-9-12-23(30)13-10-21)27(33)22-11-14-25-26(17-22)36-19-35-25/h4-14,17,20H,15-16,18-19H2,1-3H3,(H,31,34)/t29-/m0/s1