methyl 1-[2-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[(4-ethylphenyl)methyl-(3-pyridylmethyl)amino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[(4-ethylphenyl)methyl-(3-pyridinylmethyl)amino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[(4-ethylbenzyl)-(3-pyridylmethyl)amino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C27H27N3O3/c1-3-20-10-12-21(13-11-20)16-30(17-22-7-6-14-28-15-22)26(31)19-29-18-24(27(32)33-2)23-8-4-5-9-25(23)29/h4-15,18H,3,16-17,19H2,1-2H3