methyl 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]ethanoyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]ethanoyl]-2-methoxy-benzoate Openeye Name: methyl 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]acetyl]-2-methoxy-benzoate CAS Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxoethyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]acetyl]-2-methoxybenzoate Traditional Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]acetyl]-2-methoxy-benzoic acid methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NCC(=O)C3=CC(=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NCC(=O)C3=CC(=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C22H25NO6/c1-14(4-5-15-6-8-20-21(10-15)29-13-28-20)23-12-18(24)16-7-9-19(26-2)17(11-16)22(25)27-3/h6-11,14,23H,4-5,12-13H2,1-3H3