tert-butyl (Z)-2-[(S)-[(4-aminophenyl)methylamino]-cyclohexyl-methyl]but-2-enoate

Systemtic Name: tert-butyl (Z)-2-[(S)-[(4-aminophenyl)methylamino]-cyclohexyl-methyl]but-2-enoate Openeye Name: tert-butyl (Z)-2-[(S)-[(4-aminophenyl)methylamino]-cyclohexyl-methyl]but-2-enoate CAS Name: (Z)-2-[(S)-[(4-aminophenyl)methylamino]-cyclohexylmethyl]-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-2-[(S)-[(4-aminophenyl)methylamino]-cyclohexylmethyl]but-2-enoate Traditional Name: (Z)-2-[(S)-[(4-aminobenzyl)amino]-cyclohexyl-methyl]but-2-enoic acid tert-butyl ester Formula: C22H34N2O2 MolecularWeight: 358.51756

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(C1CCCCC1)NCC2=CC=C(C=C2)N)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C(/[C@H](C1CCCCC1)NCC2=CC=C(C=C2)N)\C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N2O2/c1-5-19(21(25)26-22(2,3)4)20(17-9-7-6-8-10-17)24-15-16-11-13-18(23)14-12-16/h5,11-14,17,20,24H,6-10,15,23H2,1-4H3/b19-5-/t20-/m0/s1