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

Systemtic Name: 6-cyano-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-cyano-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]chromane-4-carboxylic acid CAS Name: 6-cyano-7-[4-[oxo-[[(2S)-2-phenylpropyl]amino]methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-cyano-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-cyano-7-[4-[[(2S)-2-phenylpropyl]carbamoyl]phenoxy]chroman-4-carboxylic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=C(C=C1)OC2=CC3=C(C=C2C#N)C(CCO3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1=CC=C(C=C1)OC2=CC3=C(C=C2C#N)C(CCO3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5/c1-17(18-5-3-2-4-6-18)16-29-26(30)19-7-9-21(10-8-19)34-24-14-25-23(13-20(24)15-28)22(27(31)32)11-12-33-25/h2-10,13-14,17,22H,11-12,16H2,1H3,(H,29,30)(H,31,32)/t17-,22?/m1/s1