[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate Openeye Name: [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-methylbenzoic acid [2-[[(1R)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-keto-ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CO2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC=CO2)N

InChI

InChI=1S/C16H18N2O4/c1-10-5-6-12(8-13(10)17)16(20)22-9-15(19)18-11(2)14-4-3-7-21-14/h3-8,11H,9,17H2,1-2H3,(H,18,19)/t11-/m1/s1