2-[7-[[4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenyl]carbonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[7-[[4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenyl]carbonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[7-[[4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]benzoyl]amino]tetralin-2-yl]acetic acid CAS Name: 2-[7-[[[4-[(E)-(4-methyl-1-piperazinyl)iminomethyl]phenyl]-oxomethyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[7-[[4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]benzoyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[7-[[4-[(E)-(4-methylpiperazino)iminomethyl]benzoyl]amino]tetralin-2-yl]acetic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)N=CC2=CC=C(C=C2)C(=O)NC3=CC4=C(CCC(C4)CC(=O)O)C=C3

Isomeric SMILES

CN1CCN(CC1)/N=C/C2=CC=C(C=C2)C(=O)NC3=CC4=C(CCC(C4)CC(=O)O)C=C3

InChI

InChI=1S/C25H30N4O3/c1-28-10-12-29(13-11-28)26-17-18-2-6-21(7-3-18)25(32)27-23-9-8-20-5-4-19(15-24(30)31)14-22(20)16-23/h2-3,6-9,16-17,19H,4-5,10-15H2,1H3,(H,27,32)(H,30,31)/b26-17+