ethyl (4S)-2-azanyl-4-[2-[(4-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-[2-[(4-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-4-[2-(4-chlorobenzyl)oxyphenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C27H28ClNO5 MolecularWeight: 481.96792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C27H28ClNO5/c1-4-32-26(31)24-22(23-19(30)13-27(2,3)14-21(23)34-25(24)29)18-7-5-6-8-20(18)33-15-16-9-11-17(28)12-10-16/h5-12,22H,4,13-15,29H2,1-3H3/t22-/m0/s1