ethyl 3-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]carbonyl-propan-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]carbonyl-propan-2-yl-amino]propanoate Openeye Name: ethyl 3-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-benzoyl]-isopropyl-amino]propanoate CAS Name: 3-[[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methylphenyl]-oxomethyl]-propan-2-ylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methylbenzoyl]-propan-2-ylamino]propanoate Traditional Name: 3-[[4-[3-(4-amidinoanilino)prop-1-ynyl]-2-methyl-benzoyl]-isopropyl-amino]propionic acid ethyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-5-33-24(31)14-16-30(18(2)3)26(32)23-13-8-20(17-19(23)4)7-6-15-29-22-11-9-21(10-12-22)25(27)28/h8-13,17-18,29H,5,14-16H2,1-4H3,(H3,27,28)