[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 2-ethylhexanoate

Systemtic Name: [4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 2-ethylhexanoate Openeye Name: [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [4-[3-[(phenylmethyl)amino]-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NCC4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)C(=O)OC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2/c1-3-5-13-22(4-2)28(32)33-24-17-15-23(16-18-24)26-27(29-20-21-11-7-6-8-12-21)31-19-10-9-14-25(31)30-26/h6-12,14-19,22,29H,3-5,13,20H2,1-2H3