4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-2-phenyl-ethyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-2-phenyl-ethyl]-3-methoxy-benzoic acid Openeye Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-2-phenyl-ethyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[1-[5-(1-oxohexylamino)-1H-indol-3-yl]-2-phenylethyl]benzoic acid IUPAC Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-2-phenylethyl]-3-methoxybenzoic acid Traditional Name: 4-[1-[5-(caproylamino)-1H-indol-3-yl]-2-phenyl-ethyl]-3-methoxy-benzoic acid Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)NC=C2C(CC3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)NC=C2C(CC3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C30H32N2O4/c1-3-4-6-11-29(33)32-22-13-15-27-25(18-22)26(19-31-27)24(16-20-9-7-5-8-10-20)23-14-12-21(30(34)35)17-28(23)36-2/h5,7-10,12-15,17-19,24,31H,3-4,6,11,16H2,1-2H3,(H,32,33)(H,34,35)