(phenylmethyl) (4R)-2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: (phenylmethyl) (4R)-2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: benzyl (4R)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4R)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4R)-2-amino-4-(2-butoxyphenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid benzyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3=C(CCCC3=O)OC(=C2C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@@H]2C3=C(CCCC3=O)OC(=C2C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C27H29NO5/c1-2-3-16-31-21-14-8-7-12-19(21)23-24-20(29)13-9-15-22(24)33-26(28)25(23)27(30)32-17-18-10-5-4-6-11-18/h4-8,10-12,14,23H,2-3,9,13,15-17,28H2,1H3/t23-/m1/s1