ethyl 3-[(3-carbamimidoylphenyl)-[(E)-3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-enyl]amino]propanoate

Systemtic Name: ethyl 3-[(3-carbamimidoylphenyl)-[(E)-3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-enyl]amino]propanoate Openeye Name: ethyl 3-(3-carbamimidoyl-N-[(E)-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]allyl]anilino)propanoate CAS Name: 3-(3-carbamimidoyl-N-[(E)-3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-enyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-carbamimidoyl-N-[(E)-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enyl]anilino)propanoate Traditional Name: 3-(3-amidino-N-[(E)-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]allyl]anilino)propionic acid ethyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CCN(C/C=C/C1=CC(=C(C=C1)C(=O)N2CCCC2)C)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C27H34N4O3/c1-3-34-25(32)13-17-30(23-10-6-9-22(19-23)26(28)29)16-7-8-21-11-12-24(20(2)18-21)27(33)31-14-4-5-15-31/h6-12,18-19H,3-5,13-17H2,1-2H3,(H3,28,29)/b8-7+