methyl 3-[(4-dimethylaminophenyl)methylcarbamoyl]-3-methyl-4-azaspiro[4.5]dec-1-ene-4-carboxylate

Systemtic Name: methyl 3-[(4-dimethylaminophenyl)methylcarbamoyl]-3-methyl-4-azaspiro[4.5]dec-1-ene-4-carboxylate Openeye Name: methyl 3-[(4-dimethylaminophenyl)methylcarbamoyl]-3-methyl-4-azaspiro[4.5]dec-1-ene-4-carboxylate CAS Name: 3-[[(4-dimethylaminophenyl)methylamino]-oxomethyl]-3-methyl-4-azaspiro[4.5]dec-1-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-dimethylaminophenyl)methylcarbamoyl]-3-methyl-4-azaspiro[4.5]dec-1-ene-4-carboxylate Traditional Name: 3-[[4-(dimethylamino)benzyl]carbamoyl]-3-methyl-4-azaspiro[4.5]dec-1-ene-4-carboxylic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2(N1C(=O)OC)CCCCC2)C(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1(C=CC2(N1C(=O)OC)CCCCC2)C(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H31N3O3/c1-21(19(26)23-16-17-8-10-18(11-9-17)24(2)3)14-15-22(12-6-5-7-13-22)25(21)20(27)28-4/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,23,26)