methyl 4-[[5-azanyl-1-(3-pyridin-2-ylpropyl)indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-azanyl-1-(3-pyridin-2-ylpropyl)indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-amino-1-[3-(2-pyridyl)propyl]indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-amino-1-[3-(2-pyridinyl)propyl]-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-1-(3-pyridin-2-ylpropyl)indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-amino-1-[3-(2-pyridyl)propyl]indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)N)CCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)N)CCCC4=CC=CC=N4

InChI

InChI=1S/C26H27N3O3/c1-31-25-15-19(26(30)32-2)9-8-18(25)14-20-17-29(24-11-10-21(27)16-23(20)24)13-5-7-22-6-3-4-12-28-22/h3-4,6,8-12,15-17H,5,7,13-14,27H2,1-2H3