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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[hexan-3-yl(pentan-3-yl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[1-ethylbutyl(1-ethylpropyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-3-[hexan-3-yl(pentan-3-yl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[hexan-3-yl(pentan-3-yl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[1-ethylbutyl(1-ethylpropyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(CC)N(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/C29H39N3O3/c1-6-10-25(9-4)32(24(7-2)8-3)28(33)20(5)19-21-11-13-23(14-12-21)29(34)35-26-17-15-22(16-18-26)27(30)31/h11-19,24-25H,6-10H2,1-5H3,(H3,30,31)/b20-19-