(phenylmethyl) 4-[3-[3-[(phenylmethyl)amino]phenyl]carbonylindol-1-yl]butanoate

Systemtic Name: (phenylmethyl) 4-[3-[3-[(phenylmethyl)amino]phenyl]carbonylindol-1-yl]butanoate Openeye Name: benzyl 4-[3-[3-(benzylamino)benzoyl]indol-1-yl]butanoate CAS Name: 4-[3-[oxo-[3-[(phenylmethyl)amino]phenyl]methyl]-1-indolyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[3-(benzylamino)benzoyl]indol-1-yl]butanoate Traditional Name: 4-[3-[3-(benzylamino)benzoyl]indol-1-yl]butyric acid benzyl ester Formula: C33H30N2O3 MolecularWeight: 502.6029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=CC(=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=CC(=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H30N2O3/c36-32(38-24-26-13-5-2-6-14-26)19-10-20-35-23-30(29-17-7-8-18-31(29)35)33(37)27-15-9-16-28(21-27)34-22-25-11-3-1-4-12-25/h1-9,11-18,21,23,34H,10,19-20,22,24H2