methyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-[4-[2-[(phenylmethyl)amino]ethanoylamino]phenyl]pent-4-ynoate

Systemtic Name: methyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-[4-[2-[(phenylmethyl)amino]ethanoylamino]phenyl]pent-4-ynoate Openeye Name: methyl 5-[4-[[2-(benzylamino)acetyl]amino]phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[4-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]phenyl]-4-pentynoic acid methyl ester IUPAC Name: methyl 5-[4-[[2-(benzylamino)acetyl]amino]phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)pent-4-ynoate Traditional Name: 5-[4-[[2-(benzylamino)acetyl]amino]phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoic acid methyl ester Formula: C33H36N2O5 MolecularWeight: 540.64934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC=C(C=C2)NC(=O)CNCC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC=C(C=C2)NC(=O)CNCC3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C33H36N2O5/c1-38-30-19-16-26(20-31(30)40-29-10-6-7-11-29)27(21-33(37)39-2)15-12-24-13-17-28(18-14-24)35-32(36)23-34-22-25-8-4-3-5-9-25/h3-5,8-9,13-14,16-20,27,29,34H,6-7,10-11,21-23H2,1-2H3,(H,35,36)