2-[[(E)-3-[6-(cyclopropylmethylamino)pyridin-2-yl]prop-2-enyl]-phenylmethoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[(E)-3-[6-(cyclopropylmethylamino)pyridin-2-yl]prop-2-enyl]-phenylmethoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[benzyloxycarbonyl-[(E)-3-[6-(cyclopropylmethylamino)-2-pyridyl]allyl]amino]acetic acid CAS Name: 2-[[(E)-3-[6-(cyclopropylmethylamino)-2-pyridinyl]prop-2-enyl]-phenylmethoxycarbonylamino]acetic acid IUPAC Name: 2-[[(E)-3-[6-(cyclopropylmethylamino)pyridin-2-yl]prop-2-enyl]-phenylmethoxycarbonylamino]acetic acid Traditional Name: 2-[carbobenzoxy-[(E)-3-[6-(cyclopropylmethylamino)-2-pyridyl]allyl]amino]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=CC=CC(=N2)C=CCN(CC(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC1CNC2=CC=CC(=N2)/C=C/CN(CC(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c26-21(27)15-25(22(28)29-16-18-6-2-1-3-7-18)13-5-9-19-8-4-10-20(24-19)23-14-17-11-12-17/h1-10,17H,11-16H2,(H,23,24)(H,26,27)/b9-5+