methyl 4-[[[1-(dimethylamino)cycloheptyl]methylcarbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(dimethylamino)cycloheptyl]methylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(dimethylamino)cycloheptyl]methylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[[[1-(dimethylamino)cycloheptyl]methylamino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(dimethylamino)cycloheptyl]methylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[[1-(dimethylamino)cycloheptyl]methylcarbamoylamino]methyl]benzoic acid methyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H31N3O3/c1-23(2)20(12-6-4-5-7-13-20)15-22-19(25)21-14-16-8-10-17(11-9-16)18(24)26-3/h8-11H,4-7,12-15H2,1-3H3,(H2,21,22,25)