ethyl (4S)-2-azanyl-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-4-(4-butoxyphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OCC)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OCC)N

InChI

InChI=1S/C24H31NO5/c1-5-7-12-29-16-10-8-15(9-11-16)19-20-17(26)13-24(3,4)14-18(20)30-22(25)21(19)23(27)28-6-2/h8-11,19H,5-7,12-14,25H2,1-4H3/t19-/m0/s1