N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-[(4-propoxyphenyl)carbonylamino]benzamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-[(4-propoxyphenyl)carbonylamino]benzamide Openeye Name: N-(isochroman-1-ylmethyl)-4-[(4-propoxybenzoyl)amino]benzamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-4-[[oxo-(4-propoxyphenyl)methyl]amino]benzamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-[(4-propoxybenzoyl)amino]benzamide Traditional Name: N-(isochroman-1-ylmethyl)-4-[(4-propoxybenzoyl)amino]benzamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C27H28N2O4/c1-2-16-32-23-13-9-21(10-14-23)27(31)29-22-11-7-20(8-12-22)26(30)28-18-25-24-6-4-3-5-19(24)15-17-33-25/h3-14,25H,2,15-18H2,1H3,(H,28,30)(H,29,31)