methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-chloro-benzoate CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-chlorobenzoate Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-4-chloro-benzoic acid methyl ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16ClNO5/c1-23-18(22)12-4-5-13(19)14(9-12)20-17(21)7-3-11-2-6-15-16(8-11)25-10-24-15/h2,4-6,8-9H,3,7,10H2,1H3,(H,20,21)