[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] chromane-3-carboxylate CAS Name: 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: chroman-3-carboxylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2CC3=CC=CC=C3OC2

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2CC3=CC=CC=C3OC2

InChI

InChI=1S/C23H27NO4/c1-4-15(2)19-10-6-7-11-20(19)24-22(25)16(3)28-23(26)18-13-17-9-5-8-12-21(17)27-14-18/h5-12,15-16,18H,4,13-14H2,1-3H3,(H,24,25)