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

Systemtic Name: (E)-4-[cycloheptyl(pyridin-4-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[cycloheptyl(4-pyridylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[cycloheptyl(pyridin-4-ylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[cycloheptyl(pyridin-4-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[cycloheptyl(4-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=CC=NC=C2)C(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c20-16(7-8-17(21)22)19(13-14-9-11-18-12-10-14)15-5-3-1-2-4-6-15/h7-12,15H,1-6,13H2,(H,21,22)/b8-7+