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

Systemtic Name: ethyl 2-[(3-carbamimidoylphenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]ethanoate Openeye Name: ethyl 2-[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetate CAS Name: 2-[3-carbamimidoyl-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetate Traditional Name: 2-[3-amidino-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetic acid ethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC#CC1=CC(=C(C=C1)C(=O)N2CCCC2)C)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CN(CC#CC1=CC(=C(C=C1)C(=O)N2CCCC2)C)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H30N4O3/c1-3-33-24(31)18-30(22-10-6-9-21(17-22)25(27)28)15-7-8-20-11-12-23(19(2)16-20)26(32)29-13-4-5-14-29/h6,9-12,16-17H,3-5,13-15,18H2,1-2H3,(H3,27,28)