[4-[(4-azidophenyl)carbonyl-methyl-amino]-3-(but-3-enylamino)cyclohexyl] propanoate

Systemtic Name: [4-[(4-azidophenyl)carbonyl-methyl-amino]-3-(but-3-enylamino)cyclohexyl] propanoate Openeye Name: [4-[(4-azidobenzoyl)-methyl-amino]-3-(but-3-enylamino)cyclohexyl] propanoate CAS Name: propanoic acid [4-[[(4-azidophenyl)-oxomethyl]-methylamino]-3-(but-3-enylamino)cyclohexyl] ester IUPAC Name: [4-[(4-azidobenzoyl)-methylamino]-3-(but-3-enylamino)cyclohexyl] propanoate Traditional Name: propionic acid [4-[(4-azidobenzoyl)-methyl-amino]-3-(but-3-enylamino)cyclohexyl] ester Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CCC(C(C1)NCCC=C)N(C)C(=O)C2=CC=C(C=C2)N=[N+]=[N-]

Isomeric SMILES

CCC(=O)OC1CCC(C(C1)NCCC=C)N(C)C(=O)C2=CC=C(C=C2)N=[N+]=[N-]

InChI

InChI=1S/C21H29N5O3/c1-4-6-13-23-18-14-17(29-20(27)5-2)11-12-19(18)26(3)21(28)15-7-9-16(10-8-15)24-25-22/h4,7-10,17-19,23H,1,5-6,11-14H2,2-3H3