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

Systemtic Name: 2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-pentanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-1-oxopentyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethylpentanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[5-(4-amidinophenyl)-3-methoxy-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCC1=CC=C(C=C1)C(=N)N)OC)C(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

CC(C)(C(CCC1=CC=C(C=C1)C(=N)N)OC)C(=O)N2CCC(CC2)CC(=O)O

InChI

InChI=1S/C22H33N3O4/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/h4-5,7-8,16,18H,6,9-14H2,1-3H3,(H3,23,24)(H,26,27)