2-[[[(2S,3S)-1,1-diethyl-3-methoxy-7-oxidanyl-3,4-dihydro-2H-naphthalen-2-yl]amino]methyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[[(2S,3S)-1,1-diethyl-3-methoxy-7-oxidanyl-3,4-dihydro-2H-naphthalen-2-yl]amino]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[[(2S,3S)-1,1-diethyl-7-hydroxy-3-methoxy-tetralin-2-yl]amino]propanoic acid CAS Name: 2-[[[(2S,3S)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[[(2S,3S)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]propanoic acid Traditional Name: 2-benzyl-3-[[(2S,3S)-1,1-diethyl-7-hydroxy-3-methoxy-tetralin-2-yl]amino]propionic acid Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CC2=C1C=C(C=C2)O)OC)NCC(CC3=CC=CC=C3)C(=O)O)CC

Isomeric SMILES

CCC1([C@@H]([C@H](CC2=C1C=C(C=C2)O)OC)NCC(CC3=CC=CC=C3)C(=O)O)CC

InChI

InChI=1S/C25H33NO4/c1-4-25(5-2)21-15-20(27)12-11-18(21)14-22(30-3)23(25)26-16-19(24(28)29)13-17-9-7-6-8-10-17/h6-12,15,19,22-23,26-27H,4-5,13-14,16H2,1-3H3,(H,28,29)/t19?,22-,23+/m0/s1