methyl 4-[2-[5-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]pent-4-ynoylamino]ethoxy]benzoate

Systemtic Name: methyl 4-[2-[5-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]pent-4-ynoylamino]ethoxy]benzoate Openeye Name: methyl 4-[2-[5-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]pent-4-ynoylamino]ethoxy]benzoate CAS Name: 4-[2-[[5-[4-[[(2-chloroanilino)-oxomethyl]amino]-3-methoxyphenyl]-1-oxopent-4-ynyl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[5-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxyphenyl]pent-4-ynoylamino]ethoxy]benzoate Traditional Name: 4-[2-[5-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]pent-4-ynoylamino]ethoxy]benzoic acid methyl ester Formula: C29H28ClN3O6 MolecularWeight: 550.00212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#CCCC(=O)NCCOC2=CC=C(C=C2)C(=O)OC)NC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C#CCCC(=O)NCCOC2=CC=C(C=C2)C(=O)OC)NC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C29H28ClN3O6/c1-37-26-19-20(11-16-25(26)33-29(36)32-24-9-5-4-8-23(24)30)7-3-6-10-27(34)31-17-18-39-22-14-12-21(13-15-22)28(35)38-2/h4-5,8-9,11-16,19H,6,10,17-18H2,1-2H3,(H,31,34)(H2,32,33,36)