2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-pent-4-enoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-pent-4-enoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-pent-4-enoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-1-oxopent-4-enyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethylpent-4-enoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(E)-5-(4-amidinophenyl)-3-methoxy-2,2-dimethyl-pent-4-enoyl]-4-piperidyl]acetic acid Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C=CC1=CC=C(C=C1)C(=N)N)OC)C(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

CC(C)(C(/C=C/C1=CC=C(C=C1)C(=N)N)OC)C(=O)N2CCC(CC2)CC(=O)O

InChI

InChI=1S/C22H31N3O4/c1-22(2,21(28)25-12-10-16(11-13-25)14-19(26)27)18(29-3)9-6-15-4-7-17(8-5-15)20(23)24/h4-9,16,18H,10-14H2,1-3H3,(H3,23,24)(H,26,27)/b9-6+