N-(furan-3-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(furan-3-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3-furylmethyl)-N-[(1R)-1-methyl-3-phenyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(3-furanylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(furan-3-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-furfuryl)-N-[(1R)-1-methyl-3-phenyl-propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N(CC2=COC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N(CC2=COC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H27NO4/c1-19(8-9-20-6-3-2-4-7-20)26(17-21-12-15-28-18-21)25(27)22-10-11-23-24(16-22)30-14-5-13-29-23/h2-4,6-7,10-12,15-16,18-19H,5,8-9,13-14,17H2,1H3/t19-/m1/s1