propan-2-yl (4S)-2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: propan-2-yl (4S)-2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: isopropyl (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-4-(2-butoxyphenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid isopropyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-4-5-13-27-17-11-7-6-9-15(17)19-20-16(25)10-8-12-18(20)29-22(24)21(19)23(26)28-14(2)3/h6-7,9,11,14,19H,4-5,8,10,12-13,24H2,1-3H3/t19-/m0/s1