methyl 4-[(4-ethylphenyl)methylamino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate

Systemtic Name: methyl 4-[(4-ethylphenyl)methylamino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl 4-[(4-ethylphenyl)methylamino]-3-hydroxy-2,2-dimethyl-chromane-6-carboxylate CAS Name: 4-[(4-ethylphenyl)methylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-ethylphenyl)methylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate Traditional Name: 4-[(4-ethylbenzyl)amino]-3-hydroxy-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2C(C(OC3=C2C=C(C=C3)C(=O)OC)(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2C(C(OC3=C2C=C(C=C3)C(=O)OC)(C)C)O

InChI

InChI=1S/C22H27NO4/c1-5-14-6-8-15(9-7-14)13-23-19-17-12-16(21(25)26-4)10-11-18(17)27-22(2,3)20(19)24/h6-12,19-20,23-24H,5,13H2,1-4H3