ethyl (E)-3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-carbamimidoyl-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[4-carbamimidoyl-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-amidino-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]acrylic acid ethyl ester Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C25H31N5O4/c1-2-33-23(31)6-5-18-3-4-20(24(26)27)17-22(18)34-16-13-29-25(32)19-9-14-30(15-10-19)21-7-11-28-12-8-21/h3-8,11-12,17,19H,2,9-10,13-16H2,1H3,(H3,26,27)(H,29,32)/b6-5+