(4-carbamimidoylphenyl) 4-[(Z)-2-methyl-3-[[(E)-2-methylhex-4-en-2-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(Z)-2-methyl-3-[[(E)-2-methylhex-4-en-2-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(Z)-3-[[(E)-1,1-dimethylpent-3-enyl]amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-2-methyl-3-[[(E)-2-methylhex-4-en-2-yl]amino]-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(Z)-2-methyl-3-[[(E)-2-methylhex-4-en-2-yl]amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[[(E)-1,1-dimethylpent-3-enyl]amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C)(C)NC(=O)C(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-5-6-15-25(3,4)28-23(29)17(2)16-18-7-9-20(10-8-18)24(30)31-21-13-11-19(12-14-21)22(26)27/h5-14,16H,15H2,1-4H3,(H3,26,27)(H,28,29)/b6-5+,17-16-