(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(butylamino)benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(butylamino)benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C25H29NO4/c1-5-6-11-26-22-10-8-7-9-19(22)25(28)29-15-18-13-24(27)30-23-12-17(4)20(16(2)3)14-21(18)23/h7-10,12-14,16,26H,5-6,11,15H2,1-4H3