methyl 3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]cyclohexyl]propanoate

Systemtic Name: methyl 3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]cyclohexyl]propanoate CAS Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-imidazolidinyl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[2-keto-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]cyclohexyl]propionic acid methyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CC4=C(CCNCC4)C=C3

Isomeric SMILES

COC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CC4=C(CCNCC4)C=C3

InChI

InChI=1S/C23H33N3O3/c1-29-22(27)9-4-17-2-6-20(7-3-17)25-14-15-26(23(25)28)21-8-5-18-10-12-24-13-11-19(18)16-21/h5,8,16-17,20,24H,2-4,6-7,9-15H2,1H3