methyl 3-[[(3-carbamimidoylphenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]methyl]benzoate

Systemtic Name: methyl 3-[[(3-carbamimidoylphenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]methyl]benzoate Openeye Name: methyl 3-[[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoate CAS Name: 3-[[3-carbamimidoyl-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoate Traditional Name: 3-[[3-amidino-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoic acid methyl ester Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4

InChI

InChI=1S/C31H32N4O3/c1-22-18-23(13-14-28(22)30(36)34-15-3-4-16-34)9-7-17-35(27-12-6-10-25(20-27)29(32)33)21-24-8-5-11-26(19-24)31(37)38-2/h5-6,8,10-14,18-20H,3-4,15-17,21H2,1-2H3,(H3,32,33)