2-[[4-[4-[[(4-pentan-3-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-1,3-thiazol-2-yl]methyl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-[4-[[(4-pentan-3-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-1,3-thiazol-2-yl]methyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[[4-[4-[[4-(1-ethylpropyl)-N-isopropyl-anilino]methyl]phenyl]thiazol-2-yl]methyl]amino]acetic acid CAS Name: 2-[[4-[4-[(4-pentan-3-yl-N-propan-2-ylanilino)methyl]phenyl]-2-thiazolyl]methyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[[4-[4-[(4-pentan-3-yl-N-propan-2-ylanilino)methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acid Traditional Name: 2-[benzyl-[[4-[4-[[4-(1-ethylpropyl)-N-isopropyl-anilino]methyl]phenyl]thiazol-2-yl]methyl]amino]acetic acid Formula: C34H41N3O2S MolecularWeight: 555.77324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=CC=CC=C4)CC(=O)O)C(C)C

Isomeric SMILES

CCC(CC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=CC=CC=C4)CC(=O)O)C(C)C

InChI

InChI=1S/C34H41N3O2S/c1-5-28(6-2)29-16-18-31(19-17-29)37(25(3)4)21-27-12-14-30(15-13-27)32-24-40-33(35-32)22-36(23-34(38)39)20-26-10-8-7-9-11-26/h7-19,24-25,28H,5-6,20-23H2,1-4H3,(H,38,39)