methyl 4-[2-[3-(2-azanylethyl)-1-(diphenylmethyl)-5-nitro-indol-2-yl]ethoxy]benzoate

Systemtic Name: methyl 4-[2-[3-(2-azanylethyl)-1-(diphenylmethyl)-5-nitro-indol-2-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-[3-(2-aminoethyl)-1-benzhydryl-5-nitro-indol-2-yl]ethoxy]benzoate CAS Name: 4-[2-[3-(2-aminoethyl)-1-(diphenylmethyl)-5-nitro-2-indolyl]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(2-aminoethyl)-1-benzhydryl-5-nitroindol-2-yl]ethoxy]benzoate Traditional Name: 4-[2-[3-(2-aminoethyl)-1-benzhydryl-5-nitro-indol-2-yl]ethoxy]benzoic acid methyl ester Formula: C33H31N3O5 MolecularWeight: 549.61634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)[N+](=O)[O-])CCN

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)[N+](=O)[O-])CCN

InChI

InChI=1S/C33H31N3O5/c1-40-33(37)25-12-15-27(16-13-25)41-21-19-31-28(18-20-34)29-22-26(36(38)39)14-17-30(29)35(31)32(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-17,22,32H,18-21,34H2,1H3