methyl 5-[[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C25H33N3O4/c1-18(2)19-8-6-9-20(16-19)25(3,4)26-24(30)28-13-7-12-27(14-15-28)17-21-10-11-22(32-21)23(29)31-5/h6,8-11,16H,1,7,12-15,17H2,2-5H3,(H,26,30)