N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloranyl-4-methyl-phenyl)propanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloranyl-4-methyl-phenyl)propanamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methyl-phenyl)propanamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methyl-phenyl)propionamide Formula: C19H20ClNO3 MolecularWeight: 345.82

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C19H20ClNO3/c1-12-3-4-14(9-16(12)20)5-8-19(22)21-13(2)15-6-7-17-18(10-15)24-11-23-17/h3-4,6-7,9-10,13H,5,8,11H2,1-2H3,(H,21,22)