2-azanyl-2-[[2-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-3-yl]methyl]butanoic acid

Systemtic Name: 2-azanyl-2-[[2-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-3-yl]methyl]butanoic acid Openeye Name: 2-amino-2-[[1-[(4-hydroxy-3-isopropyl-phenyl)methyl]-2-methyl-indol-3-yl]methyl]butanoic acid CAS Name: 2-amino-2-[[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methyl-3-indolyl]methyl]butanoic acid IUPAC Name: 2-amino-2-[[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methylindol-3-yl]methyl]butanoic acid Traditional Name: 2-amino-2-[[1-(4-hydroxy-3-isopropyl-benzyl)-2-methyl-indol-3-yl]methyl]butyric acid Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(N(C2=CC=CC=C21)CC3=CC(=C(C=C3)O)C(C)C)C)(C(=O)O)N

Isomeric SMILES

CCC(CC1=C(N(C2=CC=CC=C21)CC3=CC(=C(C=C3)O)C(C)C)C)(C(=O)O)N

InChI

InChI=1S/C24H30N2O3/c1-5-24(25,23(28)29)13-20-16(4)26(21-9-7-6-8-18(20)21)14-17-10-11-22(27)19(12-17)15(2)3/h6-12,15,27H,5,13-14,25H2,1-4H3,(H,28,29)