[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[[(1S)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C22H23NO5/c1-3-12-26-18-10-8-16(9-11-18)22(25)27-14-21(24)23-15(2)20-13-17-6-4-5-7-19(17)28-20/h4-11,13,15H,3,12,14H2,1-2H3,(H,23,24)/t15-/m0/s1