propan-2-yl 4-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]acetyl]amino]benzoic acid isopropyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H30N2O5/c1-17(2)32-25(29)18-6-9-20(10-7-18)26-24(28)16-27-12-3-5-21(27)19-8-11-22-23(15-19)31-14-4-13-30-22/h6-11,15,17,21H,3-5,12-14,16H2,1-2H3,(H,26,28)