[4-[2-[[3-(diethylamino)-2-oxidanyl-propyl]carbamoyl]indol-1-yl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[2-[[3-(diethylamino)-2-oxidanyl-propyl]carbamoyl]indol-1-yl]phenyl] 3-methylbenzoate Openeye Name: [4-[2-[[3-(diethylamino)-2-hydroxy-propyl]carbamoyl]indol-1-yl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[2-[[[3-(diethylamino)-2-hydroxypropyl]amino]-oxomethyl]-1-indolyl]phenyl] ester IUPAC Name: [4-[2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]indol-1-yl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[2-[[3-(diethylamino)-2-hydroxy-propyl]carbamoyl]indol-1-yl]phenyl] ester Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC(=O)C1=CC2=CC=CC=C2N1C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)C)O

Isomeric SMILES

CCN(CC)CC(CNC(=O)C1=CC2=CC=CC=C2N1C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)C)O

InChI

InChI=1S/C30H33N3O4/c1-4-32(5-2)20-25(34)19-31-29(35)28-18-22-10-6-7-12-27(22)33(28)24-13-15-26(16-14-24)37-30(36)23-11-8-9-21(3)17-23/h6-18,25,34H,4-5,19-20H2,1-3H3,(H,31,35)