3-(2-aminophenyl)propanoyl 5-(4-carbamimidoylphenyl)pent-4-ynoate

Systemtic Name: 3-(2-aminophenyl)propanoyl 5-(4-carbamimidoylphenyl)pent-4-ynoate Openeye Name: 3-(2-aminophenyl)propanoyl 5-(4-carbamimidoylphenyl)pent-4-ynoate CAS Name: 5-(4-carbamimidoylphenyl)-4-pentynoic acid [3-(2-aminophenyl)-1-oxopropyl] ester IUPAC Name: 3-(2-aminophenyl)propanoyl 5-(4-carbamimidoylphenyl)pent-4-ynoate Traditional Name: 5-(4-amidinophenyl)pent-4-ynoic acid 3-(2-aminophenyl)propanoyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c22-18-7-3-2-6-16(18)13-14-20(26)27-19(25)8-4-1-5-15-9-11-17(12-10-15)21(23)24/h2-3,6-7,9-12H,4,8,13-14,22H2,(H3,23,24)