methyl 4-[(1R)-2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[(1R)-2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]-3-propyl-benzoate Openeye Name: methyl 4-[(1R)-2-amino-1-(1,3-benzodioxol-5-yl)-2-oxo-ethoxy]-3-propyl-benzoate CAS Name: 4-[(1R)-2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[(1R)-2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-propylbenzoate Traditional Name: 4-[(1R)-2-amino-1-(1,3-benzodioxol-5-yl)-2-keto-ethoxy]-3-propyl-benzoic acid methyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)O[C@H](C2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C20H21NO6/c1-3-4-12-9-14(20(23)24-2)6-7-15(12)27-18(19(21)22)13-5-8-16-17(10-13)26-11-25-16/h5-10,18H,3-4,11H2,1-2H3,(H2,21,22)/t18-/m1/s1