(E)-4-[cycloheptyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[cycloheptyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[cycloheptyl(3-pyridylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[cycloheptyl(3-pyridinylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[cycloheptyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[cycloheptyl(3-pyridylmethyl)amino]-4-keto-but-2-enoic acid Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CC2=CN=CC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

C1CCCC(CC1)N(CC2=CN=CC=C2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H22N2O3/c20-16(9-10-17(21)22)19(13-14-6-5-11-18-12-14)15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8,13H2,(H,21,22)/b10-9+