methyl 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]benzoate CAS Name: 4-[[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]carbamoyl]benzoate Traditional Name: 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]benzoic acid methyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25NO5/c1-14(2)20(17-9-10-18-19(13-17)28-12-4-11-27-18)23-21(24)15-5-7-16(8-6-15)22(25)26-3/h5-10,13-14,20H,4,11-12H2,1-3H3,(H,23,24)/t20-/m1/s1