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

Systemtic Name: methyl 3-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]-propan-2-yl-amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-isopropyl-2-methyl-anilino]-3-oxo-propanoate CAS Name: 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-propan-2-ylanilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-propan-2-ylanilino]-3-oxopropanoate Traditional Name: 3-[4-[3-(4-amidinoanilino)prop-1-ynyl]-N-isopropyl-2-methyl-anilino]-3-keto-propionic acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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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(C(C)C)C(=O)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-16(2)28(22(29)15-23(30)31-4)21-12-7-18(14-17(21)3)6-5-13-27-20-10-8-19(9-11-20)24(25)26/h7-12,14,16,27H,13,15H2,1-4H3,(H3,25,26)