prop-1-ynyl 2-azanyl-5-[(4-azanyl-3-prop-1-ynoxycarbonyl-phenyl)methyl]benzoate

Systemtic Name: prop-1-ynyl 2-azanyl-5-[(4-azanyl-3-prop-1-ynoxycarbonyl-phenyl)methyl]benzoate Openeye Name: prop-1-ynyl 2-amino-5-[(4-amino-3-prop-1-ynoxycarbonyl-phenyl)methyl]benzoate CAS Name: 2-amino-5-[[4-amino-3-[oxo(prop-1-ynoxy)methyl]phenyl]methyl]benzoic acid prop-1-ynyl ester IUPAC Name: prop-1-ynyl 2-amino-5-[(4-amino-3-prop-1-ynoxycarbonylphenyl)methyl]benzoate Traditional Name: 2-amino-5-(4-amino-3-prop-1-ynoxycarbonyl-benzyl)benzoic acid prop-1-ynyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#COC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OC#CC)N

Isomeric SMILES

CC#COC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OC#CC)N

InChI

InChI=1S/C21H18N2O4/c1-3-9-26-20(24)16-12-14(5-7-18(16)22)11-15-6-8-19(23)17(13-15)21(25)27-10-4-2/h5-8,12-13H,11,22-23H2,1-2H3