[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[[(4S)-chroman-4-yl]amino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[[(4S)-chroman-4-yl]amino]-2-keto-ethyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N[C@H]2CCOC3=CC=CC=C23

InChI

InChI=1S/C20H20N2O5/c1-13(23)21-15-6-4-5-14(11-15)20(25)27-12-19(24)22-17-9-10-26-18-8-3-2-7-16(17)18/h2-8,11,17H,9-10,12H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1