(2S)-2-[[(3-methyl-4-propan-2-yl-phenyl)amino]methyl]butanedioic acid

Systemtic Name: (2S)-2-[[(3-methyl-4-propan-2-yl-phenyl)amino]methyl]butanedioic acid Openeye Name: (2S)-2-[(4-isopropyl-3-methyl-anilino)methyl]butanedioic acid CAS Name: (2S)-2-[(3-methyl-4-propan-2-ylanilino)methyl]butanedioic acid IUPAC Name: (2S)-2-[(3-methyl-4-propan-2-ylanilino)methyl]butanedioic acid Traditional Name: (2S)-2-[(4-isopropyl-3-methyl-anilino)methyl]succinic acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC(CC(=O)O)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC[C@H](CC(=O)O)C(=O)O)C(C)C

InChI

InChI=1S/C15H21NO4/c1-9(2)13-5-4-12(6-10(13)3)16-8-11(15(19)20)7-14(17)18/h4-6,9,11,16H,7-8H2,1-3H3,(H,17,18)(H,19,20)/t11-/m0/s1