2-[1-carbamimidoyl-2-(4-propan-2-ylphenyl)piperidin-4-yl]propanoic acid

Systemtic Name: 2-[1-carbamimidoyl-2-(4-propan-2-ylphenyl)piperidin-4-yl]propanoic acid Openeye Name: 2-[1-carbamimidoyl-2-(4-isopropylphenyl)-4-piperidyl]propanoic acid CAS Name: 2-[1-carbamimidoyl-2-(4-propan-2-ylphenyl)-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-carbamimidoyl-2-(4-propan-2-ylphenyl)piperidin-4-yl]propanoic acid Traditional Name: 2-(1-amidino-2-p-cumenyl-4-piperidyl)propionic acid Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2CC(CCN2C(=N)N)C(C)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2CC(CCN2C(=N)N)C(C)C(=O)O

InChI

InChI=1S/C18H27N3O2/c1-11(2)13-4-6-14(7-5-13)16-10-15(12(3)17(22)23)8-9-21(16)18(19)20/h4-7,11-12,15-16H,8-10H2,1-3H3,(H3,19,20)(H,22,23)