ethyl 5-[5-carbamimidoyl-2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenoxy]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoate

Systemtic Name: ethyl 5-[5-carbamimidoyl-2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenoxy]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoate Openeye Name: ethyl 5-[5-carbamimidoyl-2-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenoxy]-4-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]pentanoate CAS Name: 5-[5-carbamimidoyl-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenoxy]-4-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-carbamimidoyl-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenoxy]-4-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate Traditional Name: 5-[5-amidino-2-[(E)-3-ethoxy-3-keto-prop-1-enyl]phenoxy]-4-[[1-(4-pyridyl)isonipecotoyl]amino]valeric acid ethyl ester Formula: C30H39N5O6 MolecularWeight: 565.66056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(COC1=C(C=CC(=C1)C(=N)N)C=CC(=O)OCC)NC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CCC(COC1=C(C=CC(=C1)C(=N)N)/C=C/C(=O)OCC)NC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C30H39N5O6/c1-3-39-27(36)9-7-21-5-6-23(29(31)32)19-26(21)41-20-24(8-10-28(37)40-4-2)34-30(38)22-13-17-35(18-14-22)25-11-15-33-16-12-25/h5-7,9,11-12,15-16,19,22,24H,3-4,8,10,13-14,17-18,20H2,1-2H3,(H3,31,32)(H,34,38)/b9-7+