(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-phenyl-2-(piperonylamino)acetamide Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C23H21ClN2O3/c1-15-7-9-18(12-19(15)24)26-23(27)22(17-5-3-2-4-6-17)25-13-16-8-10-20-21(11-16)29-14-28-20/h2-12,22,25H,13-14H2,1H3,(H,26,27)/t22-/m0/s1