ethyl 1-[C-[4-[[4-chloranyl-2-[(4-ethynylphenyl)carbamoyl]phenyl]carbamoyl]-3-fluoranyl-phenyl]carbonimidoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[C-[4-[[4-chloranyl-2-[(4-ethynylphenyl)carbamoyl]phenyl]carbamoyl]-3-fluoranyl-phenyl]carbonimidoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl]carbamoyl]-3-fluoro-benzenecarboximidoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[4-chloro-2-[(4-ethynylanilino)-oxomethyl]anilino]-oxomethyl]-3-fluorophenyl]-iminomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl]carbamoyl]-3-fluorobenzenecarboximidoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[4-chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl]carbamoyl]-3-fluoro-benzimidoyl]isonipecotic acid ethyl ester Formula: C31H28ClFN4O4 MolecularWeight: 575.029823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=N)C2=CC(=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C#C)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=N)C2=CC(=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C#C)F

InChI

InChI=1S/C31H28ClFN4O4/c1-3-19-5-9-23(10-6-19)35-30(39)25-18-22(32)8-12-27(25)36-29(38)24-11-7-21(17-26(24)33)28(34)37-15-13-20(14-16-37)31(40)41-4-2/h1,5-12,17-18,20,34H,4,13-16H2,2H3,(H,35,39)(H,36,38)