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

Systemtic Name: methyl 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-2-phenyl-ethyl]-3-methoxy-benzoate Openeye Name: methyl 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-2-phenyl-ethyl]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[1-[5-(1-oxohexylamino)-1H-indol-3-yl]-2-phenylethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]-2-phenylethyl]-3-methoxybenzoate Traditional Name: 4-[1-[5-(caproylamino)-1H-indol-3-yl]-2-phenyl-ethyl]-3-methoxy-benzoic acid methyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O4/c1-4-5-7-12-30(34)33-23-14-16-28-26(19-23)27(20-32-28)25(17-21-10-8-6-9-11-21)24-15-13-22(31(35)37-3)18-29(24)36-2/h6,8-11,13-16,18-20,25,32H,4-5,7,12,17H2,1-3H3,(H,33,34)