(phenylmethyl) 5-(dipentylamino)-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-(dipentylamino)-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl 5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxo-pentanoate CAS Name: 5-(dipentylamino)-4-[[1H-indol-2-yl(oxo)methyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate Traditional Name: 5-(diamylamino)-4-(1H-indole-2-carbonylamino)-5-keto-valeric acid benzyl ester Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C31H41N3O4/c1-3-5-12-20-34(21-13-6-4-2)31(37)27(18-19-29(35)38-23-24-14-8-7-9-15-24)33-30(36)28-22-25-16-10-11-17-26(25)32-28/h7-11,14-17,22,27,32H,3-6,12-13,18-21,23H2,1-2H3,(H,33,36)