ethyl 3-[[4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-3-oxo-propanoate CAS Name: 3-[4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-3-oxopropanoate Traditional Name: 3-[4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-3-keto-propionic acid ethyl ester Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(C1CCCC1)C2=C(C=C(C=C2)C#CCN(C)C3=CC=CC(=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CC(=O)N(C1CCCC1)C2=C(C=C(C=C2)C#CCN(C)C3=CC=CC(=C3)C(=N)N)C

InChI

InChI=1S/C28H34N4O3/c1-4-35-27(34)19-26(33)32(23-11-5-6-12-23)25-15-14-21(17-20(25)2)9-8-16-31(3)24-13-7-10-22(18-24)28(29)30/h7,10,13-15,17-18,23H,4-6,11-12,16,19H2,1-3H3,(H3,29,30)