methyl 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[(3S)-chromane-3-carbonyl]amino]benzoate CAS Name: 3-[[[(3S)-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate Traditional Name: 3-[[(3S)-chroman-3-carbonyl]amino]benzoic acid methyl ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3OC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)[C@H]2CC3=CC=CC=C3OC2

InChI

InChI=1S/C18H17NO4/c1-22-18(21)13-6-4-7-15(10-13)19-17(20)14-9-12-5-2-3-8-16(12)23-11-14/h2-8,10,14H,9,11H2,1H3,(H,19,20)/t14-/m0/s1