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

Systemtic Name: methyl 3-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-3-oxo-propanoate CAS Name: 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-3-oxopropanoate Traditional Name: 3-[4-[3-(4-amidinoanilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-3-keto-propionic acid methyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)N(C3CCCC3)C(=O)CC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)N(C3CCCC3)C(=O)CC(=O)OC

InChI

InChI=1S/C26H30N4O3/c1-18-16-19(6-5-15-29-21-12-10-20(11-13-21)26(27)28)9-14-23(18)30(22-7-3-4-8-22)24(31)17-25(32)33-2/h9-14,16,22,29H,3-4,7-8,15,17H2,1-2H3,(H3,27,28)