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

Systemtic Name: 2-methoxyethyl (4S)-2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6/c1-3-4-12-28-17-10-6-5-8-15(17)19-20-16(25)9-7-11-18(20)30-22(24)21(19)23(26)29-14-13-27-2/h5-6,8,10,19H,3-4,7,9,11-14,24H2,1-2H3/t19-/m0/s1