(4-carbamimidoylphenyl) 4-[(Z)-2-methyl-3-oxidanylidene-3-[pentan-3-yl(propyl)amino]prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(Z)-2-methyl-3-oxidanylidene-3-[pentan-3-yl(propyl)amino]prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[1-ethylpropyl(propyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-2-methyl-3-oxo-3-[pentan-3-yl(propyl)amino]prop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(Z)-2-methyl-3-oxo-3-[pentan-3-yl(propyl)amino]prop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[1-ethylpropyl(propyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(CC)CC)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCCN(C(CC)CC)C(=O)/C(=C\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C

InChI

InChI=1S/C26H33N3O3/c1-5-16-29(22(6-2)7-3)25(30)18(4)17-19-8-10-21(11-9-19)26(31)32-23-14-12-20(13-15-23)24(27)28/h8-15,17,22H,5-7,16H2,1-4H3,(H3,27,28)/b18-17-