6-chloranyl-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

Systemtic Name: 6-chloranyl-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-chloro-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]chromane-4-carboxylic acid CAS Name: 6-chloro-7-[4-[oxo-[[(2S)-2-phenylpropyl]amino]methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-chloro-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-chloro-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]chroman-4-carboxylic acid Formula: C26H24ClNO5 MolecularWeight: 465.92546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=C(C=C1)OC2=C(C=C3C(CCOC3=C2)C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1=CC=C(C=C1)OC2=C(C=C3C(CCOC3=C2)C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H24ClNO5/c1-16(17-5-3-2-4-6-17)15-28-25(29)18-7-9-19(10-8-18)33-24-14-23-21(13-22(24)27)20(26(30)31)11-12-32-23/h2-10,13-14,16,20H,11-12,15H2,1H3,(H,28,29)(H,30,31)/t16-,20?/m1/s1