3-[butyl-[4-[4-[[(1R,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]piperidin-1-yl]phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[butyl-[4-[4-[[(1R,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]piperidin-1-yl]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[N-butyl-4-[4-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]-1-piperidyl]anilino]-3-oxo-propanoic acid CAS Name: 3-[N-butyl-4-[4-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-piperidinyl]anilino]-3-oxopropanoic acid IUPAC Name: 3-[N-butyl-4-[4-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]piperidin-1-yl]anilino]-3-oxopropanoic acid Traditional Name: 3-[N-butyl-4-[4-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]piperidino]anilino]-3-keto-propionic acid Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)N2CCC(CC2)NC(C)C(C3=CC=C(C=C3)O)O)C(=O)CC(=O)O

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)N2CCC(CC2)N[C@@H](C)[C@@H](C3=CC=C(C=C3)O)O)C(=O)CC(=O)O

InChI

InChI=1S/C27H37N3O5/c1-3-4-15-30(25(32)18-26(33)34)23-9-7-22(8-10-23)29-16-13-21(14-17-29)28-19(2)27(35)20-5-11-24(31)12-6-20/h5-12,19,21,27-28,31,35H,3-4,13-18H2,1-2H3,(H,33,34)/t19-,27-/m0/s1