(2S)-4-benzamido-6-methoxycarbonyl-2-(phenylmethyl)-2,3-dihydrochromene-4-carboxylic acid

Systemtic Name: (2S)-4-benzamido-6-methoxycarbonyl-2-(phenylmethyl)-2,3-dihydrochromene-4-carboxylic acid Openeye Name: (2S)-4-benzamido-2-benzyl-6-methoxycarbonyl-chromane-4-carboxylic acid CAS Name: (2S)-4-benzamido-6-methoxycarbonyl-2-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: (2S)-4-benzamido-2-benzyl-6-methoxycarbonyl-2,3-dihydrochromene-4-carboxylic acid Traditional Name: (2S)-4-benzamido-2-benzyl-6-carbomethoxy-chroman-4-carboxylic acid Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(CC2(C(=O)O)NC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)O[C@H](CC2(C(=O)O)NC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H23NO6/c1-32-24(29)19-12-13-22-21(15-19)26(25(30)31,27-23(28)18-10-6-3-7-11-18)16-20(33-22)14-17-8-4-2-5-9-17/h2-13,15,20H,14,16H2,1H3,(H,27,28)(H,30,31)/t20-,26?/m0/s1