ethyl 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-benzoate

Systemtic Name: ethyl 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-benzoate Openeye Name: ethyl 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-benzoate CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methylbenzoate Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-2-methyl-benzoic acid ethyl ester Formula: C20H21N3O2 MolecularWeight: 335.39964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C

InChI

InChI=1S/C20H21N3O2/c1-3-25-20(24)18-11-6-15(13-14(18)2)5-4-12-23-17-9-7-16(8-10-17)19(21)22/h6-11,13,23H,3,12H2,1-2H3,(H3,21,22)