2-[1-ethyl-7-[[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-7-[[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[1-ethyl-7-[[4-[(E)-1-piperidyliminomethyl]benzoyl]amino]tetralin-2-yl]acetic acid CAS Name: 2-[1-ethyl-7-[[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[1-ethyl-7-[[4-[(E)-piperidin-1-yliminomethyl]benzoyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[1-ethyl-7-[[4-[(E)-piperidinoiminomethyl]benzoyl]amino]tetralin-2-yl]acetic acid Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C=NN4CCCCC4)CC(=O)O

Isomeric SMILES

CCC1C(CCC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)/C=N/N4CCCCC4)CC(=O)O

InChI

InChI=1S/C27H33N3O3/c1-2-24-22(16-26(31)32)11-10-20-12-13-23(17-25(20)24)29-27(33)21-8-6-19(7-9-21)18-28-30-14-4-3-5-15-30/h6-9,12-13,17-18,22,24H,2-5,10-11,14-16H2,1H3,(H,29,33)(H,31,32)/b28-18+