2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxybenzoyl]amino]acetic acid Traditional Name: 2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoyl]amino]acetic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)NCC(=O)O)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)NCC(=O)O)OC

InChI

InChI=1S/C27H33N3O5/c1-4-6-7-18(5-2)27(34)29-22-11-10-19-12-13-30(23(19)15-22)17-21-9-8-20(14-24(21)35-3)26(33)28-16-25(31)32/h8-15,18H,4-7,16-17H2,1-3H3,(H,28,33)(H,29,34)(H,31,32)